SCHEMBL5655890

SCHEMBL5655890

Nc1ccc(SCc2cnc3ccccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.46
FDPS P14324 1/20 0.46
NPSR1 Q6W5P4 2/20 0.43
GPR84 Q9NQS5 1/20 0.40
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
FLT3 P36888 1/20 0.36
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
GAA P10253 1/20 0.35
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL5655256 0.80 PKM (0.44) GGPS1FDPSNPSR1PKMNPC1
SCHEMBL5655359 0.78 CYP1A2 (0.40) NPSR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30642393 0.78 GPR84 (0.49) GGPS1FDPSNPSR1GPR84DRD4
SCHEMBL5654368 0.75 RAB9A (0.40) NPSR1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL3796430 0.73 GGPS1 (0.50) GGPS1FDPSNPSR1GPR84DRD4
SCHEMBL13573601 0.73 HDAC1 (0.49) GGPS1FDPSNPSR1GPR84DRD4
SCHEMBL2017760 0.73 GGPS1 (0.53) GGPS1FDPSNPSR1GPR84DRD4
SCHEMBL5654464 0.72 ALDH1A1 (0.48) NPSR1NPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL29899404 0.72 GGPS1 (0.51) GGPS1FDPSNPSR1GPR84DRD4
SCHEMBL9797162 0.70 GGPS1 (0.61) GGPS1FDPSNPSR1GPR84DRD4

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 GGPS1 2444/4885FDPS 3052/4885NPSR1 1743/4885

“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.