SCHEMBL2190163

SCHEMBL2190163

O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.76
NPC1 O15118 6/20 0.76
MCL1 Q07820 1/20 0.76
ALDH1A1 P00352 6/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
LMNA P02545 3/20 0.71
THRB P10828 1/20 0.71
NR2F2 P24468 1/20 0.71
HTT P42858 1/20 0.71
PAX8 Q06710 1/20 0.71
SCD O00767 3/20 0.66
MAPT P10636 4/20 0.66
TP53 P04637 2/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
POLB P06746 2/20 0.63
DYRK1A Q13627 1/20 0.63

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
SCHEMBL22130214 0.88 NPC1 (0.77) RAB9ANPC1MCL1ALDH1A1SMN1; SMN2
SCHEMBL31219298 0.88 NPC1 (0.77) RAB9ANPC1MCL1ALDH1A1SMN1; SMN2
SCHEMBL2187627 0.88 NPC1 (0.80) RAB9ANPC1MCL1ALDH1A1SMN1; SMN2
SCHEMBL2191669 0.86 NPC1 (1.00) RAB9ANPC1MCL1ALDH1A1SMN1; SMN2
SCHEMBL2190910 0.84 SCD (0.72) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL23926524 0.84 NPC1 (0.71) RAB9ANPC1MCL1ALDH1A1SMN1; SMN2
SCHEMBL31219313 0.84 NPC1 (0.71) RAB9ANPC1MCL1ALDH1A1SMN1; SMN2
SCHEMBL4914634 0.83 NPC1 (0.74) RAB9ANPC1MCL1ALDH1A1SMN1; SMN2
SCHEMBL22130263 0.83 NPC1 (0.69) RAB9ANPC1MCL1ALDH1A1SMN1; SMN2
SCHEMBL31219300 0.83 NPC1 (0.69) RAB9ANPC1MCL1ALDH1A1SMN1; SMN2

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
US-20110172241-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2011-07-14 US disclosed
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2009-10-29 US disclosed
US-7576090-B2 e.g. N-[2-(6,7-Dimethoxyquinazolin-4-ylamino)benzothiazol-6-yl ]benzamide; multi-target protein kinase, especially epidermal and endothrlial growth factor, inhibitors; antiproliferative, anticarcinogenic agent 4SC AG (DE) 2009-08-18 US disclosed
EP-1833823-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE ANALOGUES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2007-09-19 EP disclosed
WO-2006069740-A1 2, 5 AND 2, 6-DISUBSTITUTED BENZAZOLE ANALOGUES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-07-06 WO disclosed
US-20060142570-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-29 US disclosed
EP-1674466-A1 2,5- and 2,6-disubstituted benzazole analogues useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 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 (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-20060142570-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 RAB9A 3254/4885NPC1 2073/4885MCL1 1752/4885
US-20110172241-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 RAB9A 3254/4885NPC1 2073/4885MCL1 1752/4885
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF CYP3A5, CYP3A7, CYP3A43 RAB9A 3001/4885NPC1 1968/4885MCL1 1885/4885

“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.