SCHEMBL5438161

SCHEMBL5438161

CSc1nc(=O)n2ncc(CC(C)(C)C)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KDM6B O15054 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM4D Q6B0I6 1/20 0.33
▸ HIF1AN Q9NWT6 1/20 0.33
▸ KDM2A Q9Y2K7 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ PLAT P00750 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL27223068 0.73 POLB (0.34) HTTPKMKDM6BKDM4AKDM4D
SCHEMBL5441641 0.70 PLAT (0.33) PLAT
SCHEMBL18051022 0.66 HTT (0.41) HTTLMNAXBP1XDH
SCHEMBL5443554 0.64 SRC (0.32) —
SCHEMBL11855513 0.61 HTT (0.37) HTTPKMLMNAXDHPOLB
SCHEMBL4166688 0.60 HSD17B10 (0.40) LMNAKMT2A
SCHEMBL11848982 0.60 HTT (0.36) HTTPKMLMNAXDHPOLB
SCHEMBL18788176 0.59 LMNA (0.44) HTTLMNAXBP1XDH
SCHEMBL20542245 0.58 LMNA (0.41) HTTLMNAXBP1POLB
SCHEMBL20541989 0.58 LMNA (0.38) LMNAXBP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 — — US disclosed
EP-1724264-A1 NITRILES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-22 — — 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-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient CTRL, NOS1, CPN1 HTT 2995/4885PKM 3717/4885KDM6B 2805/4885

“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.

Send feedback