SCHEMBL4768613

SCHEMBL4768613

COc1ccc(-c2cc3ccsc3c(Cl)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
CASP3 P42574 2/20 0.44
DYRK1A Q13627 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 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
SCHEMBL4772371 0.85 KDM4E (0.36) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4769008 0.78 KDM4E (0.46) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14103745 0.75 TUBB4A (0.51) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4763766 0.74 NPC1 (0.55) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4772556 0.73 NPC1 (0.47) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4763954 0.73 NPC1 (0.58) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6752282 0.72 KDM4E (0.73) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14103446 0.72 NPC1 (0.60) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL4764263 0.72 HRH3 (0.49) KDM4ENPC1RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4774204 0.71 HRH3 (0.48) KDM4ENPC1RAB9AMAPTSMN1; 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.