SCHEMBL4568280

SCHEMBL4568280

COc1cc2[nH]c(-c3cccnc3)cc2cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.56
IMPDH2 P12268 2/20 0.50
NPY5R Q15761 2/20 0.49
S1PR1 P21453 2/20 0.47
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP2A6 P11509 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
RIPK1 Q13546 1/20 0.43
CHEK1 O14757 1/20 0.43
PDE2A O00408 1/20 0.42
PDE5A O76074 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
SCHEMBL1606072 0.86 CYP19A1 (0.65) CYP19A1NPY5RNPC1RAB9ACYP11B1
SCHEMBL4568260 0.86 CYP19A1 (0.55) CYP19A1IMPDH2NPY5RNPC1KDM4E
SCHEMBL3709293 0.83 KDM4E (0.59) CYP19A1IMPDH2NPC1KDM4EMAPT
SCHEMBL4568298 0.83 CYP19A1 (0.55) CYP19A1IMPDH2NPY5RNPC1KDM4E
SCHEMBL6118227 0.83 CYP19A1 (0.55) CYP19A1IMPDH2NPY5RNPC1KDM4E
SCHEMBL4568283 0.81 CYP19A1 (0.58) CYP19A1NPY5RNPC1KDM4EMAPT
SCHEMBL4568294 0.81 CYP19A1 (0.58) CYP19A1NPY5RNPC1KDM4EMAPT
SCHEMBL1606084 0.78 NPC1 (0.69) CYP19A1NPY5RNPC1KDM4EMAPT
SCHEMBL4568273 0.78 CYP19A1 (0.58) CYP19A1NPY5RCYP11B1CYP11B2CYP2A6
SCHEMBL1120933 0.78 CYP19A1 (0.62) CYP19A1NPY5RNPC1KDM4EMAPT

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 1262/4885IMPDH2 3385/4885NPY5R 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.