SCHEMBL4772049

SCHEMBL4772049

COc1ccc(-c2cc3ccccc3c(N3CCN(C=O)CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
SIRT1 Q96EB6 1/20 0.46
GBA1 P04062 1/20 0.45
RAB9A P51151 6/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 5/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
ACACA Q13085 1/20 0.44
HTT P42858 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 2/20 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
SCHEMBL4766376 0.97 KMT2A (0.46) LMNAKDM4EALDH1A1GAASIRT1
SCHEMBL4770812 0.87 HRH4 (0.56) KDM4ESIRT1RAB9ANPC1HPGD
SCHEMBL4768223 0.84 GBA1 (0.53) LMNAKDM4EALDH1A1GAASIRT1
SCHEMBL4774166 0.84 ROCK2 (0.43) KDM4EALDH1A1GBA1MAPTADORA3
SCHEMBL4774137 0.84 TLR9 (0.52) LMNAKDM4EALDH1A1GAASIRT1
SCHEMBL4763566 0.84 HRH3 (0.48) LMNAKDM4EALDH1A1GAASIRT1
SCHEMBL4772233 0.83 MERTK (0.55) LMNAKDM4EALDH1A1GAASIRT1
SCHEMBL4771287 0.83 ROCK2 (0.60) KDM4EALDH1A1GAARAB9APOLB
Hydrochloric Acid SCHEMBL4773284 0.83 GBA1 (0.53) LMNAKDM4EALDH1A1GAASIRT1
SCHEMBL4774345 0.83 GBA1 (0.47) KDM4EALDH1A1GBA1MAPTMAPK1

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 LMNA 1057/4885KDM4E 1050/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 LMNA 1917/4885KDM4E 1058/4885ALDH1A1 1071/4885

“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.