SCHEMBL5656323

SCHEMBL5656323

CCOC(=O)c1ccccc1-n1ccnc1CSc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
HSD17B10 Q99714 4/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
TSHR P16473 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HPGD P15428 4/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TBXAS1 P24557 1/20 0.38
CYP1A2 P05177 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5655568 0.80 TSHR (0.50) ALDH1A1HSD17B10SMN1; SMN2TSHRNPC1
SCHEMBL15058157 0.77 TSHR (0.47) ALDH1A1HSD17B10SMN1; SMN2TSHRNPC1
SCHEMBL5656554 0.72 TSHR (0.49) ALDH1A1HSD17B10SMN1; SMN2TSHRNPC1
SCHEMBL3460377 0.71 TNF (0.48)
SCHEMBL5657944 0.69 NPC1 (0.43) ALDH1A1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL5654563 0.69 NPC1 (0.33) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5657194 0.68 ADORA2B (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5657825 0.67 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL5657607 0.67 KMT2A (0.41) ALDH1A1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL5657940 0.67 ALDH1A1 (0.41) ALDH1A1HPGDCYP2C9CYP2C19MEN1

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 ALDH1A1 519/4885HSD17B10 691/4885SMN1; SMN2 1174/4885

“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.