SCHEMBL2661958

SCHEMBL2661958

CCCc1sc(NC(=O)C2CCCCC2)c(C#N)c1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.54
▸ HPGD P15428 4/20 0.54
▸ MAPT P10636 1/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 2/20 0.37
▸ REV1 Q9UBZ9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2644504 0.72 ALDH1A1 (0.97) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2644495 0.67 ALDH1A1 (0.63) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2655830 0.65 ALDH1A1 (0.70) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2644704 0.65 ALDH1A1 (0.65) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL13392950 0.65 ALDH1A1 (0.57) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2649360 0.64 GCGR (0.72) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2653601 0.63 ALDH1A1 (0.66) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2653131 0.63 ALDH1A1 (0.66) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2644158 0.63 ALDH1A1 (0.61) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2648282 0.62 ALDH1A1 (0.68) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A

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 4 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
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 ALDH1A1 3592/4885HPGD 3417/4885MAPT 150/4885

“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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