SCHEMBL4773868

SCHEMBL4773868

COCOc1ccc(-c2cc3cscc3c(Cl)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DHODH Q02127 1/20 0.34
FYN P06241 3/20 0.33
SREBF2 Q12772 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE3A Q14432 1/20 0.33
ACP1 P24666 1/20 0.33

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
SCHEMBL4772556 0.85 NPC1 (0.47) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL4772371 0.77 KDM4E (0.36) KDM4EALDH1A1GAAMAOAMAOB
SCHEMBL4763526 0.76 PRMT5 (0.39) KDM4EALDH1A1GAARAB9AMEN1
SCHEMBL4763766 0.66 NPC1 (0.55) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL197283 0.66 FYN (0.45) MAOBFYNCLK4
SCHEMBL4763954 0.65 NPC1 (0.58) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL23887693 0.65 ALDH1A1 (0.37) KDM4EALDH1A1NPC1KMT2AFYN
SCHEMBL30120990 0.65 ALDH1A1 (0.37) KDM4EALDH1A1NPC1KMT2AFYN
SCHEMBL4763686 0.65 MMP2 (0.34) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3589633 0.64 NQO1 (0.50) KDM4EMAOBFYNMAPT

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 8 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
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 KDM4E 1050/4885ALDH1A1 2989/4885GAA 4736/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885ALDH1A1 1071/4885GAA 4801/4885

“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.