SCHEMBL5657577

SCHEMBL5657577

O=[N+]([O-])c1ccc(SCc2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.43
IDO1 P14902 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CRBN Q96SW2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
XDH P47989 1/20 0.38
GFER P55789 1/20 0.37

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
SCHEMBL4836695 0.77 POLB (0.51) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL12402234 0.76 NPC1 (0.47) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL32688357 0.71 MEN1 (0.43) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL10741564 0.70 IDO1 (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8746689 0.69 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8746687 0.69 ALDH1A1 (0.64) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5052654 0.69 CYP1A2 (0.73) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL10976684 0.69 CYP1A2 (0.73) MAPTALDH1A1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL9542971 0.69 KCNH2 (0.42) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5654058 0.69 CYP1A2 (0.45) MAPTALDH1A1MEN1KMT2APOLB

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 MAPT 3095/4885ALDH1A1 519/4885MEN1 729/4885

“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.