SCHEMBL1370028

SCHEMBL1370028

COC(=O)C(C)c1cnc(Cc2ccc(C(=O)O)cc2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.40
SMO Q99835 2/20 0.40
RXRA P19793 3/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 1/20 0.40
HCAR3 P49019 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
PTGER4 P35408 1/20 0.37
FABP4 P15090 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDR P35968 1/20 0.36
GAA P10253 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
SCHEMBL1369834 0.86 ABCG2 (0.39) SMO
SCHEMBL1366749 0.81 PTGDR2 (0.49) MAPTGAARAB9A
SCHEMBL1369142 0.79 KDR (0.47) MAPTKDR
SCHEMBL1367426 0.78 SMN1; SMN2 (0.41) SRD5A2SMORXRARXRBRXRG
SCHEMBL1368795 0.71 PTGDR2 (0.50) KDM4EMAPTRAB9A
SCHEMBL1369743 0.70 PTGDR2 (0.48) KDR
SCHEMBL6190209 0.69 CSF1R (0.40) PTGS1PTGS2KDR
SCHEMBL1367423 0.68 PTGDR2 (0.44) PTGS1PTGS2
SCHEMBL1369431 0.67 ABCG2 (0.42) SMOTSHRMAPTGAA
SCHEMBL1345022 0.67 L3MBTL1 (0.51) KDM4ETSHRMAPTL3MBTL1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461329-B2 Isoquinoline derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-11 US disclosed
US-20110288293-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 US disclosed
EP-2377851-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2011-10-19 EP 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-20110288293-A1 ISOQUINOLINE DERIVATIVE HRH1, HRH2, HRH4 SRD5A2 249/4885SMO 1315/4885RXRA 1314/4885

“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.