SCHEMBL6558400

SCHEMBL6558400

Nc1cccc(N=O)c1N=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 4/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
PIK3CA P42336 1/20 0.35
JAK2 O60674 1/20 0.31
RPS6KA3 P51812 1/20 0.31
MELK Q14680 1/20 0.31
STK24 Q9Y6E0 1/20 0.31

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
SCHEMBL19511754 0.85 ALDH1A1 (0.43) GAAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL12123913 0.82 HSP90AA1 (0.42) ALDH1A1CYP3A4HSP90AA1MAPTKMT2A
SCHEMBL8520219 0.78 L3MBTL1 (0.44) GAAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL143318 0.77
SCHEMBL24716112 0.74 MMP2 (0.47) GAAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL2214991 0.74 ALDH1A1 (0.59) GAAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL18880528 0.74 TSHR (0.48) GAAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL8168365 0.74 CD44 (0.50) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL22060026 0.74 JAK2 (0.47) GAAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL24052991 0.74 CYP3A4 (0.35) GAAL3MBTL1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107151356-A The composition for thermoplastic elastomer being made up of elastomer, non-elastomeric polyolefin and polyolefin block copolymer analog thermoplastic elastomer 克赖布尔格TPE有限责任两合公司 2017-09-12 CN disclosed
US-8063053-B2 1-(arylsulfonyl)-4-(piperazin-1-yl)-1H-benzimidazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-11-22 US disclosed
CN-101563786-B Electronic device module comprising polyolefin copolymer DOW GLOBAL TECHNOLOGIES INC 2011-08-17 CN disclosed
CN-101517750-B Electronic device module comprising ethylene multi-block copolymer DOW GLOBAL TECHNOLOGIES INC 2011-06-29 CN disclosed
US-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2010-05-13 US disclosed
CN-101675099-A Isocyanate, diisocyanate and (meth) acrylate compounds for minimizing scorch and diisocyanate compounds for promoting cure in crosslinkable compositions OW GLOBAL TECHNOLOGIES INC 2010-03-17 CN disclosed
CN-101563786-A Electronic device module comprising polyolefin copolymer DOW GLOBAL TECHNOLOGIES INC (US) 2009-10-21 CN disclosed
CN-101517750-A Electronic device module comprising ethylene multi-block copolymer DOW GLOBAL TECHNOLOGIES INC (US) 2009-08-26 CN disclosed
EP-1395241-A1 IMPLANTABLE MEDICAL DEVICE WITH CONTROLLABLE GASEOUS AGENT RELEASE SYSTEM Medtronic, Inc. (US) 2004-03-10 EP disclosed
WO-2002096387-A1 IMPLANTABLE MEDICAL DEVICE WITH CONTROLLABLE GASEOUS AGENT RELEASE SYSTEM MEDTRONIC, INC. (US) 2002-12-05 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-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, TPH1, HTR4 GAA 3973/4885L3MBTL1 4278/4885NPC1 3006/4885

“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.