SCHEMBL5658063

SCHEMBL5658063

O=[N+]([O-])c1ccc(SCc2cccnc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.50
SLC29A1 Q99808 1/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NAMPT P43490 1/20 0.46

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
SCHEMBL11710551 0.85 KDM4E (0.57) MAPTSMN1; SMN2PKMKDM4EALDH1A1
SCHEMBL29900467 0.85 KDM4E (0.57) MAPTSMN1; SMN2PKMKDM4EALDH1A1
SCHEMBL5321709 0.78 TDP1 (0.57) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5321454 0.77 MAPT (0.57) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL5659002 0.77 RAB9A (0.53) MAPTRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL5655669 0.76 KDM4E (0.65) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5656392 0.76 ALDH1A1 (0.57) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2204262 0.75 TDP1 (0.54) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL5320690 0.74 MAPT (0.60) MAPTRAB9ASMN1; SMN2PKMKDM4E
SCHEMBL5326091 0.74 MAPT (0.57) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1

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 3095/4885RAB9A 2546/4885SMN1; 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.