SCHEMBL731647

SCHEMBL731647

c1ccc(CSc2ccccc2-c2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 4/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
HSD17B10 Q99714 1/20 0.53
POLB P06746 2/20 0.49
METAP1 P53582 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.43
MDM2 Q00987 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
OPRK1 P41145 1/20 0.43
ATM Q13315 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
SCHEMBL1771298 0.86 RAB9A (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6469994 0.77 RAB9A (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5670991 0.77 HSD17B10 (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1116173 0.76 HSD17B10 (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28087696 0.76 KDM4E (0.54) RAB9ANPC1SMN1; SMN2HTTHSD17B10
SCHEMBL8150719 0.76 HSD17B10 (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29037875 0.75 POLB (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL27690425 0.75 L3MBTL1 (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL30865946 0.75 RAB9A (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6777717 0.74 POLB (0.59) RAB9ANPC1MEN1KMT2ASMN1; 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180362565-A1 METHOD FOR PRODUCING CYCLOMETALATED IRIDIUM COMPLEX TANAKA KIKINZOKU KOGYO K.K. (JP) 2018-12-20 US disclosed
US-10053479-B2 Raw material and production method for cyclometalated iridium complex TANAKA KIKINZOKU KOGYO K.K. (JP) 2018-08-21 US disclosed
US-20160326198-A1 RAW MATERIAL AND PRODUCTION METHOD FOR CYCLOMETALLIZED IRIDIUM COMPLEX NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2016-11-10 US disclosed
US-9080099-B2 Fluorine-bridged associations for optoelectronic applications MERCK PATENT GMBH (DE) 2015-07-14 US disclosed
US-8993754-B2 Iridium complex and light emitting material formed from same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-03-31 US disclosed
EP-2471800-B1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME NAT INST OF ADVANCED IND SCIEN (JP) 2014-01-15 EP disclosed
EP-1944308-B1 PROCESS FOR PRODUCTION OF ORTHO-METALLIZED 1:3 COMPLEX OF IRIDIUM WITH HOMOLIGAND NIPPON STEEL & SUMIKIN CHEM CO (JP) 2013-10-02 EP disclosed
EP-2318473-B1 FLUORINE-BRIDGED ASSOCIATIONS FOR OPTOELECTRONIC APPLICATIONS MERCK PATENT GMBH (DE) 2013-05-29 EP disclosed
EP-2046785-B1 1,4-BIS(2-THIENYLVINYL)BENZOL DERIVATIVES AND THEIR USE MERCK PATENT GMBH (DE) 2013-02-27 EP disclosed
US-20120211707-A1 METAL COMPLEX COMPOSITION AND COMPLEX POLYMER NATIONAL INST. OF ADV. IND. SCI. AND TECH. (JP) 2012-08-23 US disclosed
US-20110095283-A1 FLUORINE-BRIDGED ASSOCIATIONS FOR OPTOELECTRONIC APPLICATIONS MERCK PATENT GMBH (DE) 2011-04-28 US disclosed
US-20110095280-A1 NOVEL POLYMERS HAVING LOW POLYDISPERSITY MERCK PATENT GMBH (DE) 2011-04-28 US disclosed
US-20100317858-A1 METAL COORDINATION COMPOUND AND LIGHT-EMITTING MATERIAL CONTAINING THE SAME NATIONAL INSTITUTE OF ADVANCE INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-12-16 US disclosed
WO-2010034393-A1 NOVEL POLYMERS HAVING LOW POLYDISPERSITY MERCK PATENT GMBH (DE) 2010-04-01 WO disclosed
WO-2010025802-A1 FLUORINE-BRIDGED ASSOCIATIONS FOR OPTOELECTRONIC APPLICATIONS MERCK PATENT GMBH (DE) 2010-03-11 WO disclosed
US-20090321686-A1 1,4-BIS(2-THIENYLVINYL)BENZOL DERIVATIVES AND THEIR USE BUESING ARNE 2009-12-31 US disclosed
EP-2046785-A1 1,4-BIS(2-THIENYLVINYL)BENZOL DERIVATIVES AND THEIR USE Merck Patent GmbH (DE) 2009-04-15 EP disclosed
US-20080255361-A1 Process for Producing Ortho-Metalated Complex of Iridium With Homoligand NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2008-10-16 US disclosed
EP-1944308-A1 PROCESS FOR PRODUCTION OF ORTHO-METALLIZED 1:3 COMPLEX OF IRIDIUM WITH HOMOLIGAND Nippon Steel Chemical Co., Ltd. (JP) 2008-07-16 EP disclosed
WO-2008011967-A1 1,4-BIS(2-THIENYLVINYL)BENZOL DERIVATIVES AND THEIR USE MERCK PATENT GMBH (DE) 2008-01-31 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 (6 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-20090321686-A1 1,4-BIS(2-THIENYLVINYL)BENZOL DERIVATIVES AND THEIR USE TTL, VCL, BRD4 RAB9A 2246/4885NPC1 4457/4885MEN1 3176/4885
US-20180362565-A1 METHOD FOR PRODUCING CYCLOMETALATED IRIDIUM COMPLEX PRKCA, PRKACG, PRKACB RAB9A 844/4885NPC1 3101/4885MEN1 1567/4885
US-20100317858-A1 METAL COORDINATION COMPOUND AND LIGHT-EMITTING MATERIAL CONTAINING THE SAME CRY1, SOD1, L1CAM RAB9A 1118/4885NPC1 3071/4885MEN1 678/4885
US-20080255361-A1 Process for Producing Ortho-Metalated Complex of Iridium With Homoligand HPD, TALDO1, PGD RAB9A 868/4885NPC1 4207/4885MEN1 3727/4885
US-20160326198-A1 RAW MATERIAL AND PRODUCTION METHOD FOR CYCLOMETALLIZED IRIDIUM COMPLEX DTYMK, CLK3, IPMK RAB9A 2536/4885NPC1 3042/4885MEN1 2101/4885
US-10053479-B2 Raw material and production method for cyclometalated iridium complex DTYMK, IPO5, IPMK RAB9A 2392/4885NPC1 2935/4885MEN1 2076/4885

“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.