SCHEMBL5655700

SCHEMBL5655700

CCCn1ccnc1CSc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.42
NOS1 P29475 1/20 0.41
POLB P06746 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B3 P37058 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5657601 0.82 POLB (0.44) ALDH1A1MAPTTDP1KDM4ERAB9A
SCHEMBL5659406 0.80 TLR8 (0.36) ALDH1A1POLBKMT2A
SCHEMBL5657272 0.79 ALDH1A1 (0.44) ALDH1A1MAPTTDP1KDM4ERAB9A
SCHEMBL5656670 0.73 MAPT (0.50) ALDH1A1MAPTTDP1RAB9ANOS1
SCHEMBL1492578 0.73 KDM4E (0.55) ALDH1A1MAPTTDP1KDM4ERAB9A
SCHEMBL5321709 0.72 TDP1 (0.57) ALDH1A1MAPTTDP1KDM4ERAB9A
Nitric Acid SCHEMBL16700757 0.69 ALPG (0.42) ALDH1A1MAPTRAB9ANOS1POLB
SCHEMBL7905618 0.69 KMT2A (0.47) ALDH1A1MAPTRAB9ANOS1POLB
SCHEMBL29900467 0.68 KDM4E (0.57) ALDH1A1MAPTTDP1KDM4EPOLB
SCHEMBL11710551 0.68 KDM4E (0.57) ALDH1A1MAPTTDP1KDM4EPOLB

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 519/4885MAPT 3095/4885TDP1 3513/4885

“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.