SCHEMBL1906583

SCHEMBL1906583

Cc1ccnn1-c1ccc(I)s1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL30963570 0.62 POLB (0.37) KDM5AKDM4CKDM5B
SCHEMBL30963447 0.62 ALDH1A1 (0.39) KDM5AKDM4CKDM5B
SCHEMBL23130273 0.61 CYP2C9 (0.49) KDM5AKDM4CKDM5B
SCHEMBL30963530 0.59 KDM5A (0.34) KDM5AKDM4CKDM5B
SCHEMBL19851900 0.59
SCHEMBL15779574 0.59 OXTR (0.48) KDM5AKDM4CKDM5B
SCHEMBL19453172 0.59 OXTR (0.48)
SCHEMBL15299343 0.59 NPC1 (0.41) KDM5AKDM4CKDM5B
SCHEMBL18725081 0.59 KDM5A (0.37) KDM5AKDM4CKDM5B
SCHEMBL30963554 0.59 POLB (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 KDM5A 3655/4885KDM4C 3495/4885KDM5B 3757/4885

“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.