SCHEMBL417953

SCHEMBL417953

NCC(=O)NCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.72
GAA P10253 1/20 0.66
KMT2A Q03164 3/20 0.63
TSHR P16473 2/20 0.63
MEN1 O00255 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
HPGD P15428 1/20 0.62
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
MCL1 Q07820 1/20 0.59
MMP2 P08253 1/20 0.59
RECQL P46063 1/20 0.59
ALDH1A1 P00352 3/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 1/20 0.58
TPSAB1 Q15661 1/20 0.57
RAB9A P51151 1/20 0.56

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
Bromide SCHEMBL10352605 0.98 AOC3 (0.70) AOC3GAAKMT2ATSHRMEN1
Hydrochloric Acid SCHEMBL12478237 0.98 AOC3 (0.73) AOC3GAAKMT2ATSHRMEN1
SCHEMBL26580966 0.93 AOC3 (0.64) AOC3GAAKMT2ATSHRMEN1
SCHEMBL26581057 0.93 AOC3 (0.64) AOC3GAAKMT2ATSHRMEN1
Trifluoroacetic Acid SCHEMBL7760563 0.89 AOC3 (0.60) AOC3GAAKMT2ATSHRMEN1
SCHEMBL13073870 0.89 AOC3 (0.73) AOC3GAAKMT2AMEN1CA1
SCHEMBL15680124 0.86 AOC3 (0.75) AOC3GAATSHRCYP1A2CYP2D6
SCHEMBL7353744 0.86 GAA (0.75) GAAKMT2ATSHRMEN1CYP1A2
SCHEMBL8935238 0.85 LTA4H (0.67) KMT2ATSHRHPGDRECQLALDH1A1
SCHEMBL27634241 0.85 TP53 (0.62) AOC3GAAKMT2ATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192629-A1 INDUCTION OF MECP2 EXPRESSION BY DNA METHYL TRANSFERASE INHIBITORS HEROPHILUS, INC. (US) 2023-10-05 WO claimed
EP-2385948-B1 FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TORRENT PHARMACEUTICALS LTD (IN) 2017-10-04 EP claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
US-20130331406-A1 NOVEL FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TORRENT PHARMACEUTICALS LIMITED (IN) 2013-12-12 US claimed
US-8541430-B2 Fused thiazolo and oxazolo pyrimidinones TORRENT PHARMACEUTICALS LIMITED (IN) 2013-09-24 US claimed
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 US claimed
EP-2139483-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-06 EP claimed
CN-101497613-A Preparation of praziquanamine FUYANG GENEBEST CHEMICAL INDUS (CN) 2009-08-05 CN claimed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO claimed
WO-2008100727-A2 HIGH-DOSE GLYCINE AS A TREATMENT FOR OBSESSIVE-COMPULSIVE DISORDER AND OBSESSIVE-COMPULSIVE SPECTRUM DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-08-21 WO claimed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO claimed
EP-0230151-A2 Cholecystokinin antagonists BIOMEASURE, INC. (US) 1987-07-29 EP claimed
US-12391693-B2 Solid polymorphs of a FLNA-binding compound and its hydrochloride salts CASSAVA SCIENCES, INC. (US) 2025-08-19 US disclosed
CN-114072406-B Solid polymorphs of FLNA-binding compounds and hydrochloride salts thereof 卡萨瓦科学公司 2025-03-18 CN disclosed
US-4094986-A BACTERICIDES, FUNGICIDES M. S. & D. (I.A.) CORP. (US) 1978-06-13 US disclosed
US-4079051-A 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs CIBA-GEIGY CORPORATION (US) 1978-03-14 US disclosed
US-4033944-A Fibre-reactive hydroxycycloalkenyl-halo triazinyl containing dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 US 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 (5 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-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use PIK3CA, PIK3CB, PIK3CG AOC3 4082/4885GAA 1284/4885KMT2A 2013/4885
US-20130331406-A1 NOVEL FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TPMT, TYMS, UGT1A8 AOC3 2477/4885GAA 2361/4885KMT2A 4204/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD AOC3 427/4885GAA 170/4885KMT2A 3258/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS AOC3 3166/4885GAA 2414/4885KMT2A 669/4885
US-12391693-B2 Solid polymorphs of a FLNA-binding compound and its hydrochloride salts FLNA, FLNB, TOP2A AOC3 4526/4885GAA 4136/4885KMT2A 579/4885

“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.