SCHEMBL3605144

SCHEMBL3605144

COc1ccc(Br)c(SC(=O)N(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL4803409 0.79 TRIM24 (0.51) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL1534097 0.78 ALDH1A1 (0.49) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL3484162 0.78 CPS1 (0.43) RAB9ANPC1HPGDALDH1A1MEN1
SCHEMBL3483627 0.78 ALDH1A1 (0.40) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL3023660 0.78 HTT (0.38) NCEH1ALDH1A1KMT2APOLB
SCHEMBL9221122 0.76 KDM4E (0.50) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL7470229 0.75 POLB (0.60) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL5878716 0.74 CRHR1 (0.42) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL1534101 0.74 ALDH1A1 (0.48) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL4427093 0.74 POLB (0.50) RAB9ANPC1MAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
US-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed
US-4900751-A 2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having antiflammatory or gastic acid secretion inhibition activity FISONS PLC (GB) 1990-02-13 US disclosed
EP-0283504-A1 COMPOUNDS FISONS plc (GB) 1988-09-28 EP disclosed
WO-1988002367-A1 COMPOUNDS FISONS PLC (GB) 1988-04-07 WO disclosed
EP-0262845-A1 Heterocyclic substituted azole derivatives FISONS plc (GB) 1988-04-06 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 NCEH1 1939/4885RAB9A 3583/4885NPC1 3378/4885

“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.