SCHEMBL2158729

SCHEMBL2158729

COC(=O)c1cc(-c2ccc(OCCCOC3CCCCO3)cc2)c(-c2ccccc2Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRD1 P41143 1/20 0.42
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BACE1 P56817 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL1850707 0.93 MEN1 (0.53) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL2158549 0.90 MEN1 (0.44) MEN1KMT2AOPRD1NPC1RAB9A
SCHEMBL1848429 0.82 MEN1 (0.51) MEN1KMT2AL3MBTL1ESR1ESR2
SCHEMBL1846922 0.81 MEN1 (0.40) MEN1KMT2ABACE1S1PR1S1PR3
SCHEMBL1846923 0.80 MEN1 (0.40) MEN1KMT2ANPC1RAB9ABACE1
SCHEMBL2682498 0.79 KMT2A (0.38) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL2158934 0.75 OPRD1 (0.72) OPRD1NPC1RAB9AALDH1A1KDM4E
SCHEMBL19504615 0.74 MEN1 (0.72) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL476406 0.74 MEN1 (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL1850453 0.74 MEN1 (0.38) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410137-B2 Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 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-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NR3C2, NR1H3, NR1H2 MEN1 4467/4885KMT2A 2317/4885OPRD1 45/4885

“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.