SCHEMBL435075

SCHEMBL435075

Cc1nc2cc(Cl)ccc2n1C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 4/20 0.54
CYP1A2 P05177 1/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
HDAC1 Q13547 1/20 0.46
HCRTR1 O43613 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
AGPAT2 O15120 1/20 0.45
FABP4 P15090 1/20 0.45

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
SCHEMBL8427653 0.85 KDM4E (0.55) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1104855 0.80 RAB9A (0.59) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL13052931 0.79 KMT2A (0.55) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1977970 0.79 BACE1 (0.56) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1104420 0.79 KDM4E (0.48) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL3962704 0.79 KDM4E (0.48) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL8052547 0.77 RAB9A (0.59) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL2515278 0.77 KDM4E (0.55) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL958660 0.77 RAB9A (0.58) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL297992 0.77 KDM4E (0.60) NPC1RAB9AKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
WO-2017186147-A1 BENZIMIDAZOLE-LINKED INDOLE COMPOUND ACTING AS NOVEL DIVALENT IAP ANTAGONIST 南京明德新药研发股份有限公司 2017-11-02 WO disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
EP-0974598-B1 New erythromycin derivatives, process for making them and their use as medicines AVENTIS PHARMA SA (FR) 2011-08-24 EP disclosed
US-20080139489-A1 USE OF KETOLIDES FOR PREVENTING ARTERIAL THROMBOTIC COMPLICATIONS RELATED TO ATHEROSCLEROSIS AVENTIS PHARMA S.A. (FR) 2008-06-12 US disclosed
US-20080139489-A1 USE OF KETOLIDES FOR PREVENTING ARTERIAL THROMBOTIC COMPLICATIONS RELATED TO ATHEROSCLEROSIS AVENTIS PHARMA S.A. (FR) 2008-06-12 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 (3 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS NPC1 4598/4885RAB9A 2926/4885KMT2A 2086/4885
US-20080139489-A1 USE OF KETOLIDES FOR PREVENTING ARTERIAL THROMBOTIC COMPLICATIONS RELATED TO ATHEROSCLEROSIS PCSK9, KHK, PCSK7 NPC1 727/4885RAB9A 3098/4885KMT2A 1616/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH NPC1 1869/4885RAB9A 3819/4885KMT2A 2679/4885

“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.