SCHEMBL5654595

SCHEMBL5654595

Cc1ccc(C(C#N)c2ccc(F)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
LMNA P02545 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
GAA P10253 5/20 0.50
ALPG P10696 2/20 0.44
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
KCNH2 Q12809 1/20 0.41
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 3/20 0.38
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 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
SCHEMBL5654973 0.81 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2TDP1GAA
SCHEMBL29031368 0.79 ALDH1A1 (0.75) ALDH1A1LMNASMN1; SMN2TDP1GAA
SCHEMBL5655425 0.77 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2TDP1GAA
SCHEMBL10370952 0.74 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TDP1GAA
SCHEMBL1508006 0.73 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2TDP1GAA
SCHEMBL12370392 0.72 CCR1 (0.43) ALDH1A1GAAMAPTS1PR1S1PR3
SCHEMBL29692311 0.72 CCR1 (0.43) ALDH1A1GAAMAPTS1PR1S1PR3
SCHEMBL5655555 0.72 L3MBTL1 (0.51) ALDH1A1LMNASMN1; SMN2TDP1GAA
SCHEMBL11729549 0.71 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2TDP1GAA
SCHEMBL12139914 0.70 ALDH1A1 (0.77) ALDH1A1LMNASMN1; SMN2TDP1GAA

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
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 ALDH1A1 519/4885LMNA 753/4885SMN1; SMN2 1174/4885

“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.