SCHEMBL1367124

SCHEMBL1367124

CC(C(=O)O)c1cnc(Cc2ccc(N)cc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CPB2 Q96IY4 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TBXAS1 P24557 1/20 0.35
SMO Q99835 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1366570 0.88 PARP1 (0.38) PTGS1PTGS2TSHRTBXAS1
SCHEMBL1369142 0.85 KDR (0.47)
SCHEMBL1369203 0.79 RAB9A (0.51) TSHRNPC1RAB9A
SCHEMBL1369731 0.78 HSPA5 (0.39) L3MBTL1PTGS1PTGS2POLB
SCHEMBL1369743 0.78 PTGDR2 (0.48)
SCHEMBL14999786 0.76 CYP2C9 (0.42) TSHR
SCHEMBL1370028 0.76 SRD5A2 (0.40) L3MBTL1PTGS1PTGS2TSHRRAB9A
SCHEMBL1369034 0.76 PTGDR2 (0.52) NPC1RAB9APOLB
SCHEMBL1369033 0.75 PTGS1 (0.44) PTGS1PTGS2
SCHEMBL2486672 0.75 AR (0.49) L3MBTL1PTGS1PTGS2TSHRPOLB

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-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 L3MBTL1 4825/4885CPB2 3157/4885PTGS1 40/4885

“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.