SCHEMBL5654634

SCHEMBL5654634

CCn1nnnc1CSc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 3/20 0.35
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTR1A P08908 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5657382 0.84 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5657604 0.79 NPC1 (0.43) ALDH1A1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4834397 0.76 CNR2 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5656124 0.70 SMN1; SMN2 (0.54) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5657825 0.70 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6103303 0.68 NPC1 (0.36) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4033007 0.68 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL25013971 0.67
SCHEMBL2056129 0.66
SCHEMBL5659034 0.66 NPC1 (0.40) ALDH1A1NPC1RAB9AMEN1KMT2A

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 519/4885NPC1 2059/4885RAB9A 2546/4885

“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.