SCHEMBL4766650

SCHEMBL4766650

CCCCc1ccc(C2=NC(=O)c3ccccc3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.42
POLB P06746 1/20 0.41
DHODH Q02127 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
RARB P10826 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
BRS3 P32247 1/20 0.38

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
SCHEMBL4773782 0.86 APAF1 (0.34) MEN1KMT2A
SCHEMBL24181507 0.77 HSD11B1 (0.47) HSD11B1MEN1KMT2ARARB
SCHEMBL4774575 0.76 MAOA (0.40) DHODHMEN1KMT2A
SCHEMBL13945302 0.76 MIF (0.44) DHODHMEN1KMT2A
SCHEMBL4768655 0.75 PTGS2 (0.42) DHODHNISCH
SCHEMBL4769027 0.75 NPC1 (0.46) MEN1KMT2A
SCHEMBL516238 0.73 PTPN1 (0.40)
SCHEMBL27835853 0.72 PNMT (0.43) HSD11B1POLBCTSVCTSLRARB
SCHEMBL4763729 0.72 PDCD1 (0.43) POLB
SCHEMBL28829436 0.71 HSD11B1 (0.56) HSD11B1CTSVCTSLRARBNISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 HSD11B1 3193/4885POLB 3161/4885DHODH 3246/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HSD11B1 2971/4885POLB 3192/4885DHODH 2456/4885

“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.