SCHEMBL345646

SCHEMBL345646

Clc1ccc(-c2n[c]ns2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
KDM4E B2RXH2 3/20 0.41
NOTUM Q6P988 2/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PTGS2 P35354 1/20 0.41
GFER P55789 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL17028930 0.77 NPC1 (0.41) ADORA3KDM4ENOTUMGAAGFER
SCHEMBL28728969 0.73 ALDH1A1 (0.47) KDM4EMGAMGAASIMGAM2
SCHEMBL17028974 0.71 ALDH1A1 (0.46) LMNAALDH1A1CYP1A2NPC1MAPT
SCHEMBL208797 0.67 GFER (0.42) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL634227 0.65 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL17028967 0.64 ALDH1A1 (0.50) KDM4ERAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL15287095 0.64 KDM4E (0.43) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL7174034 0.64 CASP3 (0.46) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL1149164 0.62 NOTUM (0.43) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL17625968 0.62 PTGS2 (0.37) ADORA3ADORA2AADORA2BADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015124606-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2015-08-27 WO disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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 (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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A ADORA3 1082/4885ADORA2A 3211/4885ADORA2B 2682/4885

“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.