SCHEMBL3146845

SCHEMBL3146845

c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cn3)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
NFKB1 P19838 2/20 0.54
RAB9A P51151 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGDS O60760 2/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
ALDH1A1 P00352 2/20 0.47
LDHA P00338 1/20 0.47
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
ATM Q13315 1/20 0.44
KDR P35968 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL12957108 0.93 HSD17B1 (0.50) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL29578423 0.92 HPGDS (0.58) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL903715 0.92 HPGDS (0.58) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL913315 0.92 HPGDS (0.58) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL12523550 0.92 HPGDS (0.58) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL25118611 0.92 HPGDS (0.58) NPC1NFKB1RAB9ANFKB2RELA
Iodide SCHEMBL30978328 0.90 HPGDS (0.56) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL500158 0.90 HPGDS (0.56) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL30471908 0.90 HPGDS (0.56) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL12973036 0.90 HPGDS (0.60) NPC1NFKB1RAB9ANFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074925-A1 RARE EARTH COMPLEX SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2025-03-06 US disclosed
EP-4365180-A1 RARE EARTH COMPLEX Tosoh Corporation (JP) 2024-05-08 EP disclosed
US-8455690-B2 Method for producing arylhydroxylamine WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-04 US disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 US disclosed
US-20100113830-A1 METHOD FOR PRODUCING ARYLHYDROXYLAMINE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-05-06 US disclosed
EP-2154125-A1 METHOD FOR PRODUCING ARYLHYDROXYLAMINE Wako Pure Chemical Industries, Ltd. (JP) 2010-02-17 EP disclosed
US-7361414-B2 Light emitting device and display apparatus using same CANON KABUSHIKI KAISHA (JP) 2008-04-22 US disclosed
EP-0813608-B1 OSMIUM-CONTAINING REDOX MEDIATOR ROCHE DIAGNOSTICS CORP (US) 2002-09-04 EP disclosed
EP-0813608-A4 OSMIUM-CONTAINING REDOX MEDIATOR ROCHE DIAGNOSTICS CORP (US) 2000-02-09 EP disclosed
US-5846702-A Reagent including an osmium-containing redox mediator BOEHRINGER MANNHEIM CORPORATION (US) 1998-12-08 US disclosed
EP-0813608-A1 OSMIUM-CONTAINING REDOX MEDIATOR BOEHRINGER MANNHEIM CORPORATION (US) 1997-12-29 EP disclosed
US-5589326-A FOR ELECTROCHEMICAL BIOSENSORS BOEHRINGER MANNHEIM CORPORATION (US) 1996-12-31 US disclosed
WO-1996025514-A1 OSMIUM-CONTAINING REDOX MEDIATOR BOEHRINGER MANNHEIM CORPORATION (US) 1996-08-22 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 (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-20100113830-A1 METHOD FOR PRODUCING ARYLHYDROXYLAMINE PAH, APEH, HPD NPC1 3771/4885NFKB1 4024/4885RAB9A 1272/4885
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME NFE2L2, SLC19A2, AOC2 NPC1 3012/4885NFKB1 2984/4885RAB9A 1148/4885
US-20250074925-A1 RARE EARTH COMPLEX L1CAM, CHRM1, NPM1 NPC1 1197/4885NFKB1 2899/4885RAB9A 2697/4885

“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.