SCHEMBL2653851

SCHEMBL2653851

N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ ADORA1 P30542 5/20 0.50
▸ ADORA2A P29274 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ HPGD P15428 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL11456545 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL2655830 0.77 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL2653601 0.74 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL2653131 0.74 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL11455323 0.73 CYP1A2 (0.57) SMN1; SMN2ALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL10265791 0.73 KDM4E (0.89) SMN1; SMN2ALDH1A1KDM4EHTTATM
SCHEMBL6935299 0.72 KMT2A (0.69) SMN1; SMN2ALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL1847935 0.71 ADORA2A (0.62) SMN1; SMN2ALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL2656265 0.71 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL1848064 0.70 ADORA2A (0.63) SMN1; SMN2ALDH1A1NPC1CYP1A2CYP3A4

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
EP-1807411-A1 CYANOTHIOPHENES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-07-18 — — EP disclosed
US-20060094764-A1 Cyanothiophenes, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-04 — — US disclosed
WO-2006042850-A1 CYANOTHIOPHENES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-27 — — WO 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-20060094764-A1 Cyanothiophenes, their preparation and their use in pharmaceutical compositions GLRB, GPR6, GRM3 SMN1; SMN2 3691/4885ALDH1A1 3592/4885NPC1 2475/4885

“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.

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