SCHEMBL5658228

SCHEMBL5658228

Cc1cc(N)ccc1SCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2E1 P05181 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C8 P10632 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2B6 P20813 2/20 0.52
CYP2C19 P33261 2/20 0.52
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SYK P43405 1/20 0.43
GLA P06280 1/20 0.42
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL9719813 0.82 SYK (0.52) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL27945846 0.77 CYP1A2 (0.59) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5659014 0.77 CYP3A4 (0.41) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5656645 0.77 ALDH1A1 (0.56) CYP1A2CYP3A4RAB9ANPC1SMN1; SMN2
SCHEMBL23092362 0.76 POLB (0.55) CYP1A2CYP3A4CYP2D6RAB9ANPC1
SCHEMBL29715299 0.76 POLB (0.55) CYP1A2CYP3A4CYP2D6RAB9ANPC1
SCHEMBL3388873 0.74 L3MBTL1 (0.54) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5656661 0.73 HPGD (0.45) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL11786139 0.72 ALDH1A1 (0.50) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
Ammonia Solution, Strong SCHEMBL4843625 0.72 HRH1 (0.50) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6

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 CYP1A2 6/4885CYP2E1 3/4885CYP3A4 10/4885

“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.