SCHEMBL134659

SCHEMBL134659

CN(C)c1ccc(N=C=Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
TSHR P16473 6/20 0.56
MAPK1 P28482 6/20 0.56
HSD17B10 Q99714 4/20 0.56
TP53 P04637 3/20 0.56
HIF1A Q16665 1/20 0.56
ALOX15 P16050 4/20 0.55
TDP1 Q9NUW8 5/20 0.52
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NOS1 P29475 2/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3275717 0.91 ALDH1A1 (0.67) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL7123418 0.89 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL3275767 0.83 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL163992 0.81 TSHR (0.58) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL249847 0.81 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL11320017 0.81 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL13574239 0.77 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL3278282 0.76 HIF1A (0.44) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL6652098 0.76 TSHR (0.59) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL671704 0.76 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3327002-B1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-08-19 EP disclosed
US-10428015-B2 Acid-resistant base and/or radical generator, and curable resin composition containing said base and/or radical generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-01 US disclosed
US-10370930-B2 Downhole tools comprising aqueous-degradable elastomer sealing elements with carbodiimide HALLIBURTON ENERGY SERVICES, INC. (US) 2019-08-06 US disclosed
US-20190002403-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-01-03 US disclosed
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-2944626-B1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE UNIV SHIGA MEDICAL SCIENCE (JP) 2018-10-10 EP disclosed
EP-3327002-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2018-05-30 EP disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-0168222-A2 3-(Alkynylalkyloxy) Cephalosporins ELI LILLY AND COMPANY (US) 1986-01-15 EP disclosed
US-4514564-A 7β-(2'-(1\",3\",5\"-Triazepin-4\"-one)-2'-(oxime ether)-acetamido)-3-substituted cephalosporins ELI LILLY AND COMPANY (US) 1985-04-30 US disclosed
US-4490524-A BACTERICIDES TOYO JOZO KABUSHIKI KAISHA (JP) 1984-12-25 US disclosed
US-4448942-A A,B-UNSATURATED CARBOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1984-05-15 US disclosed
US-4436912-A 7-[2-(2-Aminooxazol-4-yl)-2-(oximino)acetamido cephalosporin antibiotics and intermediates therefor ELI LILLY AND COMPANY (US) 1984-03-13 US disclosed
US-4430499-A 7-[2-(2-Aminooxazol-4-yl)-2-(oximino)acetamido]cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1984-02-07 US disclosed
EP-0080079-A1 Process for the preparation of hydantoins BAYER AG (DE) 1983-06-01 EP disclosed
US-4137406-A ANTIBIOTICS, BACTERICIDES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1979-01-30 US disclosed
US-4054604-A MICROBIOCIDES, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1977-10-18 US disclosed
US-3981868-A MICROBIOCIDES, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1976-09-21 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 (4 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-10428015-B2 Acid-resistant base and/or radical generator, and curable resin composition containing said base and/or radical generator REV1, RER1, CBR1 ALDH1A1 847/4885TSHR 1154/4885MAPK1 2200/4885
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX ALDH1A1 2646/4885TSHR 1373/4885MAPK1 1414/4885
US-20190002403-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR REV1, RER1, CBR1 ALDH1A1 847/4885TSHR 1154/4885MAPK1 2200/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 ALDH1A1 4040/4885TSHR 602/4885MAPK1 1789/4885

“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.