SCHEMBL5657589

SCHEMBL5657589

CCCn1cncc1CSc1nc2cc(N)ccc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
KDM4E B2RXH2 4/20 0.37
RAD52 P43351 1/20 0.37
MAPT P10636 7/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 7/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
EGFR P00533 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5657882 0.91 POLB (0.39) POLBKDM4EMAPTNPC1RAB9A
SCHEMBL5655560 0.83 ALDH1A1 (0.42) KDM4EMAPTALDH1A1CYP2D6HTT
SCHEMBL5657883 0.78 CYP1A2 (0.39) KDM4EMAPTNPC1RAB9AHSD17B10
SCHEMBL5655703 0.77 ALDH1A1 (0.39) POLBKDM4EMAPTALDH1A1HTT
SCHEMBL6526804 0.76 MEN1 (0.36) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL3458773 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5657892 0.76 CYP2E1 (0.49) KDM4EMAPTNPC1RAB9ACYP1A2
SCHEMBL5656048 0.73 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL5658083 0.73 CYP2C19 (0.32) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL22534195 0.71 CYP1A2 (0.30) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9

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 POLB 3578/4885KDM4E 512/4885RAD52 3459/4885

“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.