SCHEMBL4771340

SCHEMBL4771340

COc1ccc(-c2cc3ccccc3c(Cl)n2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ACACA Q13085 1/20 0.58
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 3/20 0.55
MAPK1 P28482 3/20 0.55
HSD17B10 Q99714 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
USP2 O75604 1/20 0.55
HTT P42858 1/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 2/20 0.51
DHODH Q02127 1/20 0.51
RAC1 P63000 2/20 0.50
AGTR1 P30556 1/20 0.50

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
SCHEMBL4764221 0.82 MEN1 (0.42) KMT2AMEN1L3MBTL1ACACAKDM4E
SCHEMBL509133 0.82 ACACA (0.58) KMT2AMEN1L3MBTL1ACACAKDM4E
SCHEMBL4763954 0.82 NPC1 (0.58) KMT2AMEN1ACACAKDM4EALDH1A1
SCHEMBL4764227 0.81 KDM1A (0.42) KMT2AMEN1L3MBTL1ACACAKDM4E
SCHEMBL524226 0.81 SYK (0.55) KMT2AMEN1L3MBTL1ACACA
SCHEMBL4769077 0.81 MEN1 (0.44) KMT2AMEN1L3MBTL1ACACAKDM4E
SCHEMBL4769223 0.79 CYP1A2 (0.48) KMT2AALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL4773825 0.79 HSP90AA1 (0.56) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL4772286 0.79 CASP3 (0.48) KMT2AMEN1L3MBTL1ACACAKDM4E
SCHEMBL4774988 0.77 CYP2D6 (0.53) KMT2AMEN1L3MBTL1KDM4EALDH1A1

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 KMT2A 1240/4885MEN1 786/4885L3MBTL1 4124/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMT2A 1300/4885MEN1 1171/4885L3MBTL1 2776/4885

“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.