SCHEMBL5657882

SCHEMBL5657882

CCCn1cncc1CSc1nc2ccc(N)cc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
MAPT P10636 6/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
EGFR P00533 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP2C9 P11712 1/20 0.34
TP53 P04637 3/20 0.33
TSHR P16473 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL5657589 0.91 POLB (0.39) POLBMAPTRAB9ANPC1LMNA
SCHEMBL5655703 0.83 ALDH1A1 (0.39) POLBMAPTLMNAALDH1A1KDM4E
SCHEMBL5657892 0.80 CYP2E1 (0.49) MAPTRAB9ANPC1KDM4ECYP3A4
SCHEMBL5657883 0.78 CYP1A2 (0.39) MAPTRAB9ANPC1LMNAALDH1A1
SCHEMBL5655560 0.77 ALDH1A1 (0.42) MAPTLMNAALDH1A1KDM4ECYP2D6
SCHEMBL6526804 0.76 MEN1 (0.36) MAPTRAB9ANPC1ALDH1A1CYP3A4
SCHEMBL3458773 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5658083 0.73 CYP2C19 (0.32) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL5656048 0.73 CYP1A2 (0.32) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL22534195 0.71 CYP1A2 (0.30) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9

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 3578/4885MAPT 3095/4885RAB9A 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.