SCHEMBL2644504

SCHEMBL2644504

Cc1sc(NC(=O)C2CCCCC2)c(C#N)c1C

nearest known ligand 0.97

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.97
▸ HPGD P15428 3/20 0.97
▸ MAPT P10636 2/20 0.97
▸ SMN1; SMN2 Q16637 7/20 0.67
▸ RAB9A P51151 4/20 0.67
▸ NPC1 O15118 3/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ KDM4E B2RXH2 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ TSHR P16473 2/20 0.65
▸ GAA P10253 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HTT P42858 1/20 0.50

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
SCHEMBL2644495 0.80 ALDH1A1 (0.63) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2644704 0.78 ALDH1A1 (0.65) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2644158 0.75 ALDH1A1 (0.61) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL11858187 0.73 SMN1; SMN2 (0.64) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2655830 0.73 ALDH1A1 (0.70) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL13392950 0.72 ALDH1A1 (0.57) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2661958 0.72 ALDH1A1 (0.54) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2653131 0.70 ALDH1A1 (0.66) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2653601 0.70 ALDH1A1 (0.66) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL2648282 0.70 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097557-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use DUFFY JOSEPH L (US) 2004-05-20 — — US claimed
US-20040097557-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use DUFFY JOSEPH L (US) 2004-05-20 — — 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-20040097557-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR ALDH1A1 2652/4885HPGD 1674/4885MAPT 3828/4885

“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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