SCHEMBL4763693

SCHEMBL4763693

COc1ccc(-c2cc3cc(F)ccc3c[n+]2[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOB P27338 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
AR P10275 1/20 0.36
PPM1A P35813 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PTGS2 P35354 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL7601215 0.83 HSD17B1 (0.47) NPC1RAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL4774598 0.76 CYP11B2 (0.42) NPC1RAB9AKDM4EMAPT
SCHEMBL4773786 0.75 NPC1 (0.38) NPC1RAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL4765890 0.75 CYP1A2 (0.50) NPC1RAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL7695294 0.70 CYP1A2 (0.60) KDM4ENFE2L2
SCHEMBL14103057 0.68 NPC1 (0.69) NPC1RAB9AL3MBTL1SQOR
SCHEMBL5894790 0.67 CYP1A2 (0.47) RAB9AKDM4EMEN1KMT2AMAPT
SCHEMBL30979851 0.66 NFE2L2 (0.51) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL3607576 0.66 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAOBSQOR
SCHEMBL16523780 0.66 HSD17B1 (0.49) NPC1RAB9AKDM4ESMN1; SMN2PTGS2

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 2421/4885L3MBTL1 4124/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 NPC1 4576/4885RAB9A 2304/4885L3MBTL1 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.