SCHEMBL979689

SCHEMBL979689

[c]1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.66
RAB9A P51151 9/20 0.66
GAA P10253 1/20 0.66
KDM4E B2RXH2 12/20 0.58
ALDH1A1 P00352 11/20 0.58
SMN1; SMN2 Q16637 8/20 0.58
HSD17B10 Q99714 5/20 0.58
TP53 P04637 4/20 0.58
PKM P14618 3/20 0.58
ABCB11 O95342 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
EPHX2 P34913 2/20 0.55
LDHA P00338 1/20 0.55
HPGD P15428 7/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 1/20 0.54
GFER P55789 1/20 0.54
TDP1 Q9NUW8 2/20 0.53

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
SCHEMBL2104393 0.81 NPC1 (0.72) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL11317343 0.80 KDM4E (0.52) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL23859804 0.80 NPC1 (0.61) NPC1RAB9AGAAKDM4EALDH1A1
Benzene SCHEMBL28005151 0.80 NPC1 (1.00) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL105095 0.80 NPC1 (1.00) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL27845522 0.79 NPC1 (0.70) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL10626600 0.78 ALDH1A1 (0.45) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2147022 0.78 NPC1 (0.96) NPC1RAB9AGAAKDM4EALDH1A1
Potassium SCHEMBL4891434 0.78 NPC1 (0.96) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL4775610 0.78 NPC1 (0.96) NPC1RAB9AGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110437208-A A kind of bis- carbazole benzene class phosphorescent light body material of 1,3-, its synthetic method and its application ZHENJIANG BORUN NEW MAT CO LTD 2019-11-12 CN disclosed
US-9379336-B2 Compounds for use in light emitting devices NITTO DENKO CORPORATION (JP) 2016-06-28 US disclosed
EP-2991644-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2016-03-09 EP disclosed
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 WO disclosed
US-20140061614-A1 COMPOUNDS FOR USE IN LIGHT EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2014-03-06 US disclosed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 NPC1 2565/4885RAB9A 3095/4885GAA 338/4885

“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.