SCHEMBL4568294

SCHEMBL4568294

Cc1cc2cc(-c3cccnc3)[nH]c2cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.58
CYP2A6 P11509 2/20 0.47
NPY5R Q15761 5/20 0.45
TDO2 P48775 1/20 0.44
CYP11B1 P15538 2/20 0.43
KMT2A Q03164 1/20 0.42
CYP11B2 P19099 1/20 0.40
VCP P55072 1/20 0.40
CYP1A1 P04798 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIM1 P11309 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4568273 0.94 CYP19A1 (0.58) CYP19A1CYP2A6NPY5RTDO2CYP11B1
SCHEMBL1606072 0.88 CYP19A1 (0.65) CYP19A1CYP2A6NPY5RCYP11B1KMT2A
SCHEMBL4568283 0.83 CYP19A1 (0.58) CYP19A1CYP2A6NPY5RCYP11B1KMT2A
SCHEMBL6118227 0.83 CYP19A1 (0.55) CYP19A1NPY5RTDO2CYP11B1KMT2A
SCHEMBL4568291 0.82 NPC1 (0.53) CYP19A1KMT2ACYP1A1KDM4ENPC1
SCHEMBL4568280 0.81 CYP19A1 (0.56) CYP19A1CYP2A6NPY5RCYP11B1KMT2A
SCHEMBL4568295 0.81 CYP19A1 (0.58) CYP19A1CYP2A6NPY5RTDO2CYP11B1
SCHEMBL4568260 0.80 CYP19A1 (0.55) CYP19A1NPY5RCYP11B1KMT2ACYP11B2
SCHEMBL4568301 0.79 CYP19A1 (0.53) CYP19A1CYP2A6NPY5RCYP11B1KMT2A
SCHEMBL1605712 0.78 CYP19A1 (0.68) CYP19A1CYP2A6NPY5RTDO2CYP11B1

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 1262/4885CYP2A6 1025/4885NPY5R 89/4885

“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.