SCHEMBL3547390

SCHEMBL3547390

Cc1ccc(C)n1-c1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 3/20 0.59
ALOX15 P16050 2/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
NR4A1 P22736 3/20 0.52
POLB P06746 2/20 0.52
MYC P01106 2/20 0.52
USP2 O75604 1/20 0.52
HSPA1A P0DMV8 1/20 0.52
GAA P10253 1/20 0.52
PTPN7 P35236 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL24270001 0.79 NR4A1 (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14036344 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL16720842 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL29665057 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL13779281 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5083720 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14402131 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6653654 0.74 KDM4E (0.53) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL12879791 0.74 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1GSK3A
SCHEMBL12103684 0.74 POLB (0.48) ALDH1A1KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
CN-1178934-C Benzofuran derivatives Ĭ��ר���ɷ����޹�˾ 2004-12-08 CN disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
CN-1356996-A Benzofuran derivatives MERCK PATENT GMBH (DE) 2002-07-03 CN 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 (3 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-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 ALDH1A1 2863/4885KDM4E 1705/4885MEN1 2134/4885
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 ALDH1A1 963/4885KDM4E 1673/4885MEN1 606/4885
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 ALDH1A1 362/4885KDM4E 544/4885MEN1 2481/4885

“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.