SCHEMBL7045196

SCHEMBL7045196

c1ccc(-c2ncnn2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.39
EGFR P00533 2/20 0.39
PI4KA P42356 2/20 0.39
PI4K2B Q8TCG2 2/20 0.39
PI4K2A Q9BTU6 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
SRC P12931 1/20 0.39
AVPR1A P37288 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39

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
Bicarbonate SCHEMBL9488633 0.93 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL11253060 0.89 NOTUM (0.43) ALDH1A1HSD17B10POLBSRCL3MBTL1
SCHEMBL11305078 0.87 HSD17B10 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
Bromide SCHEMBL11386198 0.86 ESR2 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL10891944 0.84 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL23302549 0.83 MAPT (0.42) SMN1; SMN2RAB9AALDH1A1LMNAHTT
SCHEMBL11389096 0.83 OXTR (0.51) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL11304536 0.81 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL11307972 0.81 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL9641321 0.79 ABL1 (0.47) NPC1RAB9AEGFRSRCKDM4E

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646198-A MIXTURE INCLUDES POLYMER, BENZOTRIAZOLE OR TRIAZOLE COMPOUND, AND COMPOUND WITH HYDROPHOBIC AND HYDROPHILIC PARTS; STORAGE STABILITY; MARINE STRUCTURES HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-07-08 US claimed
EP-4240731-A1 [(1,5-DIHETEROARYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS Bayer Aktiengesellschaft (DE) 2023-09-13 EP disclosed
EP-4065564-B1 [ (1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL) OXY ] ACETIC ACID DERIVATIVES AND SALTS THEREOF, USEFUL OR CULTIVATING AGENTS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SAFENERS BAYER AG (DE) 2023-07-26 EP disclosed
WO-2022096449-A1 [(1,5-DIHETEROARYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO 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
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
US-20120208999-A1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2012-08-16 US disclosed
EP-2471800-A1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME National Institute of Advanced Industrial Science And Technology (JP) 2012-07-04 EP disclosed
US-5439511-A Composition containing polymer obtained by polymerizing unsaturated acid anhydride and another unsaturated compound, specified additive HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-08-08 US disclosed
US-5439512-A Contains a triazole, thiadiazole or benzotriazole derivative HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-08-08 US disclosed
EP-0659848-A2 Coating composition and antifouling paint Hitachi Chemical Co., Ltd. (JP) 1995-06-28 EP disclosed
EP-0608131-A1 Resin composition and antifouling paint HITACHI CHEMICAL CO., LTD. (JP) 1994-07-27 EP disclosed
EP-0608132-A1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO., LTD. (JP) 1994-07-27 EP disclosed
US-5328803-A Alkali developable solutions with carboxy group binders and monomer with initiators FUJI PHOTO FILM CO., LTD. (JP) 1994-07-12 US disclosed
EP-0310555-A1 Derivatives of 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid for crop protection against the phytotoxic activity of herbicides CIBA-GEIGY AG (CH) 1989-04-05 EP disclosed
EP-0297734-A2 A derivative of 1,5-diphenyl-1H-1,2,4-triazole-3-carboxamide, herbicidal compositions containing the derivative and process for producing the derivative KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-01-04 EP disclosed
EP-0051084-A1 Substituted 1H-1,2,4-triazoles AMERICAN CYANAMID COMPANY (US) 1982-05-12 EP disclosed
US-4259504-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-31 US 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 (2 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-20120208999-A1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME LUC7L2, CRY1, INTS9 SMN1; SMN2 1633/4885NPC1 2640/4885RAB9A 1983/4885
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders NRAS, HRAS, KRAS SMN1; SMN2 1031/4885NPC1 2089/4885RAB9A 596/4885

“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.