SCHEMBL4772977

SCHEMBL4772977

COc1ccc(-c2cc3ccncc3c(Cl)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
ACP1 P24666 1/20 0.43
MAOA P21397 2/20 0.43
DYRK1A Q13627 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ACACA Q13085 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL11370533 0.83 SYK (0.58) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL4763954 0.81 NPC1 (0.58) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL7259697 0.80 TNF (0.47) IDO1TDO2KDM4EMEN1KMT2A
SCHEMBL4763766 0.79 NPC1 (0.55) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL1536441 0.78 PDGFRB (0.47) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL2154762 0.77 NPC1 (0.64) NPC1RAB9AKDM4ECYP11B1CYP11B2
SCHEMBL4772556 0.75 NPC1 (0.47) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL14102726 0.75 NPC1 (0.71) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL11368164 0.74 SYK (0.58) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL1536354 0.74 NPC1 (0.64) NPC1RAB9AKDM4ECYP11B1CYP11B2

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 NPC1 4578/4885RAB9A 2421/4885CASP3 1930/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 NPC1 4576/4885RAB9A 2304/4885CASP3 1203/4885

“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.