SCHEMBL4764401

SCHEMBL4764401

O=C1N=C(c2ccc(N3CCOCC3)cc2)Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
CNR2 P34972 1/20 0.44
RAD51 Q06609 1/20 0.43
RPS6KA3 P51812 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
PSMD14 O00487 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
PDGFRB P09619 3/20 0.40

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
SCHEMBL4774575 0.76 MAOA (0.40) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13945302 0.76 MIF (0.44) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
Trifluoroacetic Acid SCHEMBL828079 0.73 SLC2A1 (0.41) MAPTRPS6KA3RPS6KA2KDM4EL3MBTL1
SCHEMBL4769027 0.72 NPC1 (0.46) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4763729 0.72 PDCD1 (0.43) MAPTKDM4EALDH1A1
SCHEMBL4768655 0.72 PTGS2 (0.42) MAPTKDM4ESMN1; SMN2RAB9AGAA
SCHEMBL4773657 0.72 PTPRC (0.42) MAPTCNR2KDM4ESMN1; SMN2NPC1
SCHEMBL10386402 0.70 NPC1 (0.58) MAPTCNR2RPS6KA3RPS6KA2KDM4E
SCHEMBL4769387 0.69 NOTUM (0.38) KDM4EL3MBTL1PRKDC
SCHEMBL14352419 0.69 MEN1 (0.53) MAPTCNR2RPS6KA3RPS6KA2KDM4E

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 MAPT 1892/4885CNR2 220/4885RAD51 888/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPT 3756/4885CNR2 235/4885RAD51 497/4885

“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.