SCHEMBL786747

SCHEMBL786747

Cn1ccnc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.52
BRD4 O60885 1/20 0.50
ESR1 P03372 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 3/20 0.46
RIPK2 O43353 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL5921550 0.98 HDAC4 (0.51) HDAC4BRD4ESR1NPC1RAB9A
Hydrochloric Acid SCHEMBL28830016 0.98 HDAC4 (0.51) HDAC4BRD4ESR1NPC1RAB9A
SCHEMBL9281044 0.96 HDAC4 (0.54) HDAC4BRD4ESR1NPC1RAB9A
Pentane SCHEMBL19922705 0.89 TSHR (0.53) HDAC4BRD4ESR1NPC1RAB9A
Phosphoric Acid SCHEMBL17964489 0.89 HDAC4 (0.52) HDAC4BRD4ESR1NPC1RAB9A
SCHEMBL9783096 0.88 HDAC4 (0.45) HDAC4BRD4ESR1NPC1RAB9A
SCHEMBL9783100 0.86 KDM4E (0.47) HDAC4BRD4ESR1NPC1RAB9A
SCHEMBL14412223 0.85 NMT1 (0.52) HDAC4BRD4NPC1RAB9AKDM4E
Quinoline SCHEMBL28194485 0.85 ALDH1A1 (0.53) HDAC4BRD4ESR1NPC1RAB9A
SCHEMBL18937226 0.83 ALDH1A1 (0.44) HDAC4BRD4ESR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606855-B N-heterocyclic carbene carboxylate bidentate ligand, bidentate ruthenium complex, preparation methods and application of N-heterocyclic carbene carboxylate bidentate ligand and bidentate ruthenium complex in catalysis of carboxylic acid-alkyne addition 首都师范大学 2021-07-27 CN claimed
CN-111606855-A N-heterocyclic carbene carboxylate bidentate ligand, bidentate ruthenium complex, preparation methods and application of N-heterocyclic carbene carboxylate bidentate ligand and bidentate ruthenium complex in catalysis of carboxylic acid-alkyne addition 首都师范大学 2020-09-01 CN claimed
CN-106065161-B A kind of composition epoxy resin of good insulating and application thereof 江门市新会区新日旭电子材料有限公司 2018-07-31 CN claimed
CN-105164125-B 2-phenyl or 2-heteroaryl imidazo [1,2-a ] pyridine derivatives 豪夫迈·罗氏有限公司 2017-10-13 CN claimed
CN-105229009-B 2-phenylimidazo [1,2-A ] pyrimidines as imaging agents 豪夫迈·罗氏有限公司 2017-09-29 CN claimed
CN-105189494-B Imidazo[4,5-c]pyridine and pyrrolo[2,3-c]pyridine derivatives as SSAO inhibitors 普罗克西梅根有限公司 2017-04-26 CN claimed
CN-106183237-A A kind of preparation method of environment friendly CCL 刘世超 2016-12-07 CN claimed
CN-106065162-A A kind of Halogen-free antibacterial composition epoxy resin and application thereof 刘世超 2016-11-02 CN claimed
CN-106065161-A A kind of composition epoxy resin of good insulating and application thereof 刘世超 2016-11-02 CN claimed
CN-105229009-A 2-phenylimidazo [1,2-A ] pyrimidines as imaging agents HOFFMANN LA ROCHE 2016-01-06 CN claimed
EP-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP claimed
WO-2007044447-A2 COMPOSITION AND METHOD FOR SELECTIVELY ETCHING GATE SPACER OXIDE MATERIAL ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2007-04-19 WO claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 WO claimed
JP-2002535357-A 2002-10-22 JP claimed
EP-1143943-A3 P53 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER, HYPERTHERMIA, HYPOXIA, A BURN, TRAUMA TO THE CENTRAL NERVOUS SYSTEM, A SEIZURE, ACUTE INFLAMMATION, TISSUE AGEING, PRESERVATION OF ORGANS FOR TRANSPLANT AND PREPARATION OF A HOST FOR BONE MARROW TRANSPLANT BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2002-09-11 EP claimed
EP-1143943-A2 P53 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER, HYPERTHERMIA, HYPOXIA, A BURN, TRAUMA TO THE CENTRAL NERVOUS SYSTEM, A SEIZURE, ACUTE INFLAMMATION, TISSUE AGEING, PRESERVATION OF ORGANS FOR TRANSPLANT AND PREPARATION OF A HOST FOR BONE MARROW TRANSPLANT BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2001-10-17 EP claimed
WO-2000044364-A2 P53 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER, HYPERTHERMIA, HYPOXIA, A BURN, TRAUMA TO THE CENTRAL NERVOUS SYSTEM, A SEIZURE, ACUTE INFLAMMATION, TISSUE AGEING, PRESERVATION OF ORGANS FOR TRANSPLANT AND PREPARATION OF A HOST FOR BONE MARROW TRANSPLANT THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-08-03 WO claimed
US-5870275-A CONTAINING A QUATERNARY AMIDINE GROUP SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-09 US claimed

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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 HDAC4 3363/4885BRD4 3294/4885ESR1 4728/4885

“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.