SCHEMBL791405

SCHEMBL791405

COCc1cc(Cl)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
HTT P42858 3/20 0.38
IDO1 P14902 3/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.36
S1PR4 O95977 1/20 0.36
SLC22A1 O15245 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
HSPA5 P11021 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 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
SCHEMBL500014 0.85 NOS3 (0.38) NOS3NOS1NOS2HTTIDO1
SCHEMBL28905454 0.83 NOS3 (0.41) NOS3NOS1NOS2HTTIDO1
SCHEMBL29018344 0.81 IDO1 (0.45) HTTIDO1MEN1KMT2AMAPT
SCHEMBL30517263 0.81 IDO1 (0.45) HTTIDO1MEN1KMT2AMAPT
SCHEMBL2406213 0.81 HTT (0.42) NOS3NOS1NOS2HTTIDO1
SCHEMBL1145754 0.79 IDO1 (0.44) HTTIDO1MEN1KMT2AMAPT
SCHEMBL1263737 0.79 NR4A2 (0.40) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL13178886 0.78 FFAR4 (0.43) HTTMEN1KMT2AMAPTUSP2
SCHEMBL21241614 0.78 HSD17B3 (0.44) HTTMEN1KMT2AMAPTUSP2
SCHEMBL12887520 0.78 MRGPRX4 (0.44) HTTIDO1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021256881-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2021-12-23 WO disclosed
US-9845308-B2 Isoindoline inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2017-12-19 US disclosed
US-9845308-B2 Isoindoline inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2017-12-19 US disclosed
US-9499497-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-22 US disclosed
US-9499497-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-22 US disclosed
US-9499497-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-22 US disclosed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
US-20160122318-A1 ISOINDOLINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2016-05-05 US disclosed
US-20160122318-A1 ISOINDOLINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2016-05-05 US disclosed
US-20150336903-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 NOS3 3519/4885NOS1 3315/4885NOS2 3536/4885
US-20160122318-A1 ISOINDOLINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA NOS3 1838/4885NOS1 1434/4885NOS2 1003/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI NOS3 1793/4885NOS1 2061/4885NOS2 2445/4885
US-20150336903-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT NOS3 288/4885NOS1 382/4885NOS2 103/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR NOS3 97/4885NOS1 51/4885NOS2 71/4885

“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.