SCHEMBL4568286

SCHEMBL4568286

Fc1cc2cc(-c3cccnc3)[nH]c2cc1C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.53
VCP P55072 2/20 0.42
PKN2 Q16513 1/20 0.41
CYP11B1 P15538 3/20 0.40
HPGDS O60760 1/20 0.39
NPY5R Q15761 2/20 0.39
CYP11B2 P19099 2/20 0.39
TDO2 P48775 1/20 0.38
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
PPARA Q07869 1/20 0.37
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4568301 0.85 CYP19A1 (0.53) CYP19A1VCPPKN2CYP11B1HPGDS
SCHEMBL4568282 0.84 NPC1 (0.47) CYP19A1VCPNPY5RKDM4ENPC1
SCHEMBL4568295 0.79 CYP19A1 (0.58) CYP19A1CYP11B1NPY5RCYP11B2TDO2
SCHEMBL4568273 0.79 CYP19A1 (0.58) CYP19A1CYP11B1NPY5RCYP11B2TDO2
SCHEMBL4568284 0.79 CYP1A1 (0.43) VCPKDM4ESMN1; SMN2
SCHEMBL4568281 0.78 CYP19A1 (0.61) CYP19A1VCPPKN2HPGDSNPY5R
SCHEMBL4568294 0.76 CYP19A1 (0.58) CYP19A1VCPCYP11B1NPY5RCYP11B2
SCHEMBL4568260 0.76 CYP19A1 (0.55) CYP19A1CYP11B1NPY5RCYP11B2KDM4E
SCHEMBL4568285 0.74 CDK5 (0.36) VCPNPY5RMAPT
SCHEMBL1606556 0.74 CYP19A1 (0.68) CYP19A1VCPCYP11B1HPGDSCYP11B2

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CYP19A1 1262/4885VCP 4545/4885PKN2 4338/4885

“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.