SCHEMBL8942811

SCHEMBL8942811

Oc1cc2ccccc2cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.65
PDGFRB P09619 1/20 0.62
FGFR1 P11362 1/20 0.62
RAB9A P51151 13/20 0.62
NPC1 O15118 12/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
USP2 O75604 1/20 0.62
CASP3 P42574 1/20 0.62
ATM Q13315 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
F7 P08709 1/20 0.60
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 8/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
HSD17B10 Q99714 4/20 0.60
NPSR1 Q6W5P4 4/20 0.60
PKM P14618 3/20 0.60

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
SCHEMBL8942820 0.97 KDR (0.61) KDRPDGFRBFGFR1RAB9ANPC1
SCHEMBL2784089 0.91 RAB9A (0.67) KDRPDGFRBFGFR1RAB9ANPC1
SCHEMBL31429678 0.83 GUSB (0.65) KDRPDGFRBFGFR1RAB9ANPC1
SCHEMBL10582358 0.83 AMY1A (0.49) KDRPDGFRBFGFR1RAB9ANPC1
SCHEMBL461968 0.82 F7 (0.79) RAB9ANPC1MEN1KMT2AUSP2
SCHEMBL29578227 0.82 F7 (0.79) RAB9ANPC1MEN1KMT2AUSP2
SCHEMBL14760241 0.81 NPC1 (0.68) KDRPDGFRBFGFR1RAB9ANPC1
SCHEMBL12471581 0.81 AMY1A (0.66) KDRPDGFRBFGFR1RAB9ANPC1
SCHEMBL30900824 0.81 AMY1A (0.66) KDRPDGFRBFGFR1RAB9ANPC1
SCHEMBL20677815 0.81 NPC1 (0.75) KDRPDGFRBFGFR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2021-01-28 US disclosed
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-28 US disclosed
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-10-03 US disclosed
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
WO-2015154169-A1 BINDING FUNCTION3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-10-15 WO disclosed
US-5501927-A DISAZO OR TRISAZO DYES FUJI XEROX CO., LTD. (JP) 1996-03-26 US disclosed
US-4889924-A ELECTROPHOTOGRAPHY; LIGHT SENSITIVE ELEMENTN IN PHOTORECEPTORS; DISAZO DYES FUJI XEROX CO., LTD. (JP) 1989-12-26 US disclosed
US-4206144-A N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and N-methyl-N-[3-(amino or nitro)phenoxy-2-hydroxy-1-propyl]-N,N-bis(3-aminopropyl)quaternary ammonium salts STERLING DRUG INC. (US) 1980-06-03 US disclosed
US-4146558-A Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group STERLING DRUG INC. (US) 1979-03-27 US disclosed
US-4103092-A Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1978-07-25 US disclosed
US-4065500-A Water-soluble quaternary ammonium azo dyestuffs STERLING DRUG INC. (US) 1977-12-27 US disclosed
US-3996282-A Water-soluble quaternary ammonium dyestuffs STERLING DRUG INC. (US) 1976-12-07 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 (5 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-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 KDR 902/4885PDGFRB 860/4885FGFR1 456/4885
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 KDR 902/4885PDGFRB 860/4885FGFR1 456/4885
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 KDR 902/4885PDGFRB 860/4885FGFR1 456/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 KDR 902/4885PDGFRB 860/4885FGFR1 456/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 KDR 902/4885PDGFRB 860/4885FGFR1 456/4885

“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.