SCHEMBL1426232

SCHEMBL1426232

CCO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CC3(C2)CN(c2ccncc2)C3)cn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.56
KCNH2 Q12809 5/20 0.56
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 1/20 0.36
CYP2C9 P11712 4/20 0.31
CYP2D6 P10635 2/20 0.31
TMEM97 Q5BJF2 1/20 0.31
CYP3A4 P08684 1/20 0.31
F10 P00742 4/20 0.31
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.31
MET P08581 1/20 0.31
USP2 O75604 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1426235 1.00 MCHR1 (0.56) MCHR1KCNH2PARP1PARP2CYP2C9
SCHEMBL1426396 0.92 KCNH2 (0.57) MCHR1KCNH2PARP1PARP2
SCHEMBL1426400 0.92 KCNH2 (0.57) MCHR1KCNH2PARP1PARP2
SCHEMBL1426562 0.92 MCHR1 (0.57) MCHR1KCNH2PARP1PARP2MET
SCHEMBL1426560 0.92 MCHR1 (0.57) MCHR1KCNH2PARP1PARP2MET
SCHEMBL1500088 0.92 MCHR1 (0.55) MCHR1KCNH2PARP1PARP2MET
SCHEMBL1426927 0.92 MCHR1 (0.59) MCHR1KCNH2PARP1PARP2MET
SCHEMBL1426925 0.92 MCHR1 (0.59) MCHR1KCNH2PARP1PARP2MET
SCHEMBL1500089 0.92 MCHR1 (0.55) MCHR1KCNH2PARP1PARP2MET
SCHEMBL1426594 0.92 MCHR1 (0.56) MCHR1KCNH2PARP1PARP2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301936-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2011-03-30 EP claimed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 US claimed
EP-2301936-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2011-03-30 EP disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 US 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 MCHR1 2/4885KCNH2 499/4885PARP1 4033/4885

“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.