SCHEMBL5657420

SCHEMBL5657420

CC(=O)OCCCn1ccnc1CSc1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CNR2 P34972 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALPL P05186 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 3/20 0.32
ARG1 P05089 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 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
SCHEMBL5657194 0.93 ADORA2B (0.36) CCNE1CDK2SMN1; SMN2NPC1RAB9A
SCHEMBL3460377 0.83 TNF (0.48) CNR2
SCHEMBL5657417 0.81 ESR1 (0.38) SMN1; SMN2ALDH1A1ARG1KDM4ETLR8
SCHEMBL5657944 0.78 NPC1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5653814 0.78 TLR8 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL5654563 0.76 NPC1 (0.33) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5657825 0.75 ALDH1A1 (0.38) CYP1A2CYP3A4CYP2C19SMN1; SMN2NPC1
SCHEMBL5657192 0.73 FPR2 (0.32) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL5657607 0.72 KMT2A (0.41) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL5657940 0.72 ALDH1A1 (0.41) CYP2C9CYP2C19ALDH1A1MEN1GAA

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 CCNE1 61/4885CDK2 223/4885CNR2 170/4885

“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.