SCHEMBL4568290

SCHEMBL4568290

CCOc1cc2[nH]c(-c3cccnc3)cc2cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.51
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PDE10A Q9Y233 1/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
NPC1 O15118 1/20 0.42
CYP2A6 P11509 1/20 0.41
AURKA O14965 1/20 0.41
CCNA2 P20248 1/20 0.41

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
SCHEMBL4568260 0.86 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL4568287 0.85 NPC1 (0.47) CYP19A1MAPTKDM4EALDH1A1HPGD
SCHEMBL6118227 0.81 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL4568289 0.80 CYP1A1 (0.42) KDM4EALDH1A1HPGDPDE10AAURKA
SCHEMBL4568273 0.80 CYP19A1 (0.58) CYP19A1CYP11B1CYP11B2ALDH1A1CYP2A6
SCHEMBL4568278 0.79 CYP19A1 (0.64) CYP19A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL4568294 0.77 CYP19A1 (0.58) CYP19A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL4568295 0.77 CYP19A1 (0.58) CYP19A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL4568288 0.76 CCNB2 (0.37) NPC1AURKACCNA2CDK2TTK
SCHEMBL4568280 0.75 CYP19A1 (0.56) CYP19A1CYP11B1CYP11B2MAPTKDM4E

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 1262/4885CYP11B1 314/4885CYP11B2 551/4885

“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.