SCHEMBL6747205

SCHEMBL6747205

COC(=O)c1ccc(C(=O)c2ncc[nH]2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 3/20 0.65
BRAF P15056 3/20 0.59
HDAC1 Q13547 2/20 0.59
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KMT2A Q03164 1/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LOXL2 Q9Y4K0 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
SCHEMBL6420193 0.81 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1BRAF
SCHEMBL262815 0.81
SCHEMBL29140743 0.79 KDM4E (1.00) NPC1RAB9AKDM4EALDH1A1CA1
SCHEMBL11816392 0.78 KMT2A (0.61) NPC1RAB9AKDM4EALDH1A1BRAF
SCHEMBL3473764 0.78 RAB9A (0.70) NPC1RAB9AKDM4EALDH1A1BRAF
SCHEMBL10834286 0.78 NPC1 (0.70) NPC1RAB9AKDM4EALDH1A1BRAF
SCHEMBL653633 0.78 NPC1 (0.70) NPC1RAB9AKDM4EALDH1A1BRAF
SCHEMBL653441 0.78 RAB9A (0.69) NPC1RAB9AKDM4EALDH1A1BRAF
SCHEMBL2303836 0.77 NPC1 (0.69) NPC1RAB9AALDH1A1BRAFHDAC1
SCHEMBL29836846 0.77 NPC1 (0.68) NPC1RAB9AKDM4EALDH1A1BRAF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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 (1 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 NPC1 2875/4885RAB9A 1768/4885KDM4E 1573/4885

“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.