SCHEMBL5656288

SCHEMBL5656288

Cc1cc(N)ccc1SCc1nccn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
IDO1 P14902 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
FDPS P14324 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
OPRK1 P41145 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5657607 0.78 KMT2A (0.41) KMT2AMEN1IDO1SMN1; SMN2NPC1
SCHEMBL8308040 0.73 MEN1 (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL5658228 0.71 CYP1A2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL8308033 0.70 MEN1 (0.45) KMT2AMEN1NPC1RAB9AFDPS
SCHEMBL5656661 0.69 HPGD (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3459299 0.69 MPO (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23092362 0.68 POLB (0.55) IDO1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29715299 0.68 POLB (0.55) IDO1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16676184 0.68 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL5659014 0.67 CYP3A4 (0.41) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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 KMT2A 391/4885MEN1 729/4885IDO1 192/4885

“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.