SCHEMBL4773654

SCHEMBL4773654

O=c1[nH]c(-c2ccc3c(c2)OCCO3)cc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.54
TNKS O95271 5/20 0.52
PARP1 P09874 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
SMPD1 P17405 1/20 0.45
ALOX5 P09917 1/20 0.45
APAF1 O14727 1/20 0.45
CDC25B P30305 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL28924649 0.79 TNKS (0.58) TNKSNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30160687 0.79 TNKS (0.58) TNKSNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL347506 0.77 TNKS (0.85) TNKSPARP1TNKS2NPC1RAB9A
SCHEMBL29639160 0.76 TNKS (0.63) TNKSPARP1TNKS2NPC1RAB9A
SCHEMBL828493 0.76 TNKS (0.63) TNKSPARP1TNKS2NPC1RAB9A
SCHEMBL4774571 0.74 TNKS (0.61) TNKSPARP1TNKS2NPC1RAB9A
SCHEMBL30160913 0.74 PARP1 (0.61) PDE10ATNKSPARP1TNKS2NPC1
SCHEMBL311943 0.74 TNKS (0.61) TNKSPARP1TNKS2NPC1RAB9A
SCHEMBL28924699 0.74 TNKS (0.65) TNKSPARP1TNKS2NPC1RAB9A
SCHEMBL28629565 0.74 TNKS (0.61) PDE10ATNKSPARP1TNKS2NPC1

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 PDE10A 563/4885TNKS 2508/4885PARP1 1660/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PDE10A 779/4885TNKS 2461/4885PARP1 1099/4885

“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.