SCHEMBL5656072

SCHEMBL5656072

CCCOc1cccnc1C(C#N)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALPG P10696 2/20 0.38
HPGD P15428 3/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PDE5A O76074 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL5657403 0.78 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2ALPGHPGD
SCHEMBL25920500 0.78 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2ALPGHPGD
SCHEMBL14200032 0.74 GRM5 (0.46) LMNASMN1; SMN2HPGDGRM5KDM4E
SCHEMBL12893078 0.69 CHRNB2 (0.47) SMN1; SMN2HPGDTDP1GRM5PDE5A
SCHEMBL5656046 0.68 GAA (0.42) ALDH1A1LMNAUSP2HTTGRM5
SCHEMBL10370952 0.67 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2ALPGHPGD
SCHEMBL30967514 0.66 PDE5A (0.44) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL1508006 0.66 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2ALPGHPGD
SCHEMBL11840076 0.66 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL11457381 0.65 SMN1; SMN2 (0.36) ALDH1A1LMNASMN1; SMN2HTTNPSR1

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.