SCHEMBL13115333

SCHEMBL13115333

CCc1nc(-c2ccc(Cl)cc2)[nH]c1-c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
NPY5R Q15761 4/20 0.55
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK13 O15264 5/20 0.47
MAPK12 P53778 5/20 0.47
MAPK11 Q15759 5/20 0.47
MAPK14 Q16539 5/20 0.47
RAF1 P04049 1/20 0.47
GCGR P47871 5/20 0.46
KIT P10721 1/20 0.43
BRAF P15056 1/20 0.43
LDHA P00338 1/20 0.43
EPHX2 P34913 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL13263305 0.88 NPY5R (0.48) CYP19A1NPY5RKDM4ENPC1RAB9A
SCHEMBL13115243 0.87 NPY5R (0.57) CYP19A1NPY5RKDM4ENPC1RAB9A
SCHEMBL13115339 0.85 MAPK13 (0.56) CYP19A1KDM4EALDH1A1HPGDMAPK13
SCHEMBL13115328 0.84 CYP11B2 (0.54) CYP19A1NPY5RKDM4EALDH1A1MAPK13
SCHEMBL7367947 0.82 NPY5R (0.63) CYP19A1NPY5RKDM4ENPC1RAB9A
SCHEMBL13115247 0.82 NPY5R (0.51) NPY5RKDM4ENPC1RAB9AALDH1A1
SCHEMBL13115331 0.82 BRAF (0.42) CYP19A1NPY5RKDM4ENPC1RAB9A
SCHEMBL13115246 0.80 CYP2A6 (0.56) CYP19A1NPY5RKDM4ENPC1RAB9A
SCHEMBL13115353 0.80 DYRK1A (0.46) CYP19A1NPY5RKDM4ENPC1RAB9A
SCHEMBL7370361 0.79 TLR8 (0.59) NPY5RKDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 CYP19A1 3716/4885NPY5R 695/4885KDM4E 801/4885

“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.