SCHEMBL1033828

SCHEMBL1033828

NC(=O)[CH]c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.53
GRIN3B O60391 2/20 0.53
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2B Q13224 2/20 0.53
GRIN2C Q14957 2/20 0.53
GRIN3A Q8TCU5 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 1/20 0.50
RELA Q04206 1/20 0.50
HTT P42858 1/20 0.49
PTGS1 P23219 1/20 0.48
CES2 O00748 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30209649 0.82 CYP3A4 (0.62) MEN1KMT2ACYP3A4RELAPTGS1
SCHEMBL1479925 0.82 CYP3A4 (0.62) MEN1KMT2ACYP3A4RELAPTGS1
SCHEMBL1380884 0.82 CYP3A4 (0.62) MEN1KMT2ACYP3A4RELAPTGS1
SCHEMBL5459213 0.77 APP (0.49) KDM4EALDH1A1KMT2ASMN1; SMN2L3MBTL1
2-Naphthaldehyde SCHEMBL28430640 0.76 LMNA (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31623020 0.76 DHODH (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4084710 0.76 DHODH (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4084715 0.76 DHODH (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
2-Naphthaldehyde SCHEMBL6544637 0.75 RELA (0.55) KDM4EALDH1A1L3MBTL1CYP3A4RELA
SCHEMBL2744149 0.73 CYP3A4 (0.61) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111081901-A Method for producing printed electronic components 中国科学院苏州纳米技术与纳米仿生研究所 2020-04-28 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2907804-A1 Novel 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and in cosmetics Galderma Research & Development (FR) 2015-08-19 EP claimed
US-8993596-B2 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-03-31 US claimed
EP-2373620-B1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2015-03-18 EP claimed
US-20140371197-A1 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-12-18 US claimed
US-20140187532-A1 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-07-03 US claimed
US-8697726-B2 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-04-15 US claimed
US-20130023516-A1 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-24 US claimed
US-8299259-B2 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-30 US claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006105971-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2006-10-12 WO claimed
WO-2006066879-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY DEVGEN N.V. (BE) 2006-06-29 WO claimed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 WO claimed
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP claimed
US-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 US claimed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO claimed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140371197-A1 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS TYR, DDT, TH GRIN2D 4136/4885GRIN3B 4679/4885GRIN1 4672/4885
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 GRIN2D 482/4885GRIN3B 413/4885GRIN1 343/4885
US-20140187532-A1 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS TYR, DDT, TH GRIN2D 4136/4885GRIN3B 4679/4885GRIN1 4672/4885
US-20130023516-A1 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS TYR, DDT, TH GRIN2D 4136/4885GRIN3B 4679/4885GRIN1 4672/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.