SCHEMBL4769008

SCHEMBL4769008

COc1ccc(-c2cc3sccc3c(Cl)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
DYRK1A Q13627 1/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACACA Q13085 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
PKM P14618 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
SCHEMBL4773700 0.81 MAPT (0.39) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL4768613 0.78 KDM4E (0.47) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL4763766 0.76 NPC1 (0.55) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL4772556 0.75 NPC1 (0.47) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL4763954 0.75 NPC1 (0.58) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL3280962 0.72 AURKA (0.48) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL4770376 0.72 HRH3 (0.48) KDM4EMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL4772977 0.71 NPC1 (0.47) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL6752282 0.71 KDM4E (0.73) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL14103446 0.71 NPC1 (0.60) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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 4578/4885RAB9A 2421/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885NPC1 4576/4885RAB9A 2304/4885

“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.