SCHEMBL5657403

SCHEMBL5657403

Cc1cccnc1C(C#N)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALPG P10696 2/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
SQOR Q9Y6N5 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
KCNA5 P22460 1/20 0.34

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
SCHEMBL11630272 0.86 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL11631953 0.85 L3MBTL1 (0.47) ALDH1A1HTTNPSR1RAB9AGAA
SCHEMBL25920500 0.84 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2TDP1ALPG
SCHEMBL5656072 0.78 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2TDP1ALPG
SCHEMBL11627463 0.75 GAA (0.44) ALDH1A1LMNASMN1; SMN2TDP1HTT
SCHEMBL29031372 0.74 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2TDP1ALPG
SCHEMBL10370952 0.73 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TDP1ALPG
SCHEMBL1508006 0.72 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2TDP1ALPG
SCHEMBL29031368 0.71 ALDH1A1 (0.75) ALDH1A1LMNASMN1; SMN2TDP1ALPG
SCHEMBL8938113 0.70 SMN1; SMN2 (0.53) ALDH1A1LMNASMN1; SMN2TDP1ALPG

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.