SCHEMBL2474550

SCHEMBL2474550

Nc1cc(F)ccc1N1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 2/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.38
NR4A1 P22736 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM2 Q14416 4/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDK1 Q15118 4/20 0.37
PDK2 Q15119 4/20 0.37
PDK3 Q15120 4/20 0.37
PDK4 Q16654 4/20 0.37
HSP90AA1 P07900 2/20 0.37
TYR P14679 1/20 0.36

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
SCHEMBL2476017 0.84 ALDH1A1 (0.52) ALDH1A1L3MBTL1GAAKDM4EPOLB
SCHEMBL27977457 0.74 MAPT (0.37) GAAESR1ESR2MAPTMAPK1
SCHEMBL27977154 0.71 MAPT (0.38) ESR1ESR2MAPTMAPK1TDP1
SCHEMBL2471677 0.71 MAPT (0.54) ALDH1A1L3MBTL1GAAKDM4EHSD17B10
SCHEMBL17368685 0.71 CYP1A2 (0.59) ESR1ESR2MAPT
SCHEMBL8274739 0.71 ALDH1A1 (0.59) ALDH1A1L3MBTL1HTTGAAKDM4E
SCHEMBL27832423 0.71 CYP1A2 (0.40) ALDH1A1GAAKDM4EPOLBHSD17B10
SCHEMBL1136241 0.70 ALDH1A1 (0.93) ALDH1A1L3MBTL1HTTGAAKDM4E
SCHEMBL29937765 0.70 ALDH1A1 (0.93) ALDH1A1L3MBTL1HTTGAAKDM4E
Hydrochloric Acid SCHEMBL5427235 0.70 GAA (0.59) ALDH1A1L3MBTL1HTTGAAKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2373620-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) 2011-10-12 EP claimed
WO-2010063774-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) 2010-06-10 WO 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 disclosed
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 disclosed
US-20110311466-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) 2011-12-22 US disclosed
EP-2373620-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) 2011-10-12 EP disclosed
WO-2010063774-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) 2010-06-10 WO disclosed

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

For each of this compound's patents that has machine-readable text (1 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-20110311466-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 TYR, DDT, TH ALDH1A1 30/4885L3MBTL1 4540/4885HTT 2359/4885

“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.