SCHEMBL7083568

SCHEMBL7083568

O=[N+]([O-])c1ccc(-c2csc(-c3ccncc3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.63
MAPT P10636 6/20 0.63
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
MAPK1 P28482 1/20 0.63
KDM4E B2RXH2 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 4/20 0.60
LMNA P02545 3/20 0.60
AR P10275 2/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX12 P18054 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP19A1 P11511 3/20 0.56
ROCK1 Q13464 1/20 0.55

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
SCHEMBL14551142 0.88 MAPT (0.73) RAB9AMAPTKMT2AMEN1MAPK1
SCHEMBL28521847 0.87 MAPT (0.65) RAB9AMAPTKMT2AMEN1MAPK1
SCHEMBL31372651 0.87 MAPT (0.62) RAB9AMAPTKMT2AMEN1MAPK1
SCHEMBL14263397 0.87 RAB9A (0.63) RAB9AMAPTKMT2AMEN1MAPK1
SCHEMBL21479749 0.86 MAPT (0.58) RAB9AMAPTKMT2AMEN1MAPK1
SCHEMBL31372533 0.83 MAPT (0.72) RAB9AMAPTKMT2AMEN1MAPK1
SCHEMBL7671981 0.81 MAPT (0.62) RAB9AMAPTKMT2AMEN1MAPK1
SCHEMBL29653981 0.81 MAPT (0.83) RAB9AMAPTKMT2AMEN1MAPK1
SCHEMBL6646512 0.81 MAPT (0.55) RAB9AMAPTKMT2AMEN1MAPK1
SCHEMBL10668105 0.80 POLB (0.59) RAB9AMAPTKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1151147-C Indole derivatives as 5 -HT receptor antagonist ʷ��˿�������ȳ�ķ���޹�˾ 2004-05-26 CN disclosed
US-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 US disclosed
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 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-20030105139-A1 Indole derivatives as 5-HT receptor antagonist HTR5A, HTR2C, HTR1A RAB9A 2697/4885MAPT 1035/4885KMT2A 1079/4885

“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.