SCHEMBL4764744

SCHEMBL4764744

COc1cc(-c2cc3ccccc3c(=O)[nH]2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TNKS O95271 6/20 0.51
IDO1 P14902 1/20 0.49
GAA P10253 1/20 0.44
TNKS2 Q9H2K2 1/20 0.43
CDC25B P30305 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
THRB P10828 1/20 0.42
KIT P10721 3/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41

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
SCHEMBL4767052 0.83 ALDH1A1 (0.48) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL29583756 0.81 RAB9A (0.57) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22201443 0.77 ALDH1A1 (0.59) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL31308715 0.77 RIPK1 (0.66) CLK1
SCHEMBL4766308 0.77 GUSB (0.60) KDM4ENPC1ALDH1A1HPGDTNKS
SCHEMBL4768926 0.76 KDM4E (0.63) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL4769021 0.76 TNKS (0.64) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL4771349 0.76 TNKS (0.54) KDM4ENPC1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL6648959 0.76 ALDH1A1 (0.61) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL28924699 0.74 TNKS (0.65) KDM4ENPC1ALDH1A1LMNAHPGD

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 KDM4E 1050/4885NPC1 4578/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885NPC1 4576/4885ALDH1A1 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.