SCHEMBL4023874

SCHEMBL4023874

CCN(CC)C(=O)c1ccc(N)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.49
HSP90AB1 P08238 5/20 0.49
HPGD P15428 8/20 0.48
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
BLM P54132 1/20 0.46
MAPT P10636 1/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MLYCD O95822 2/20 0.43
LRRK2 Q5S007 1/20 0.43
ELANE P08246 1/20 0.40

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
SCHEMBL6439629 0.89 HPGD (0.54) HSP90AA1HSP90AB1HPGDTDP1ALDH1A1
SCHEMBL4021525 0.83 HPGD (0.41) HSP90AA1HPGDTDP1ALDH1A1CYP1A2
SCHEMBL2952990 0.80 HSP90AA1 (0.57) HSP90AA1HSP90AB1HPGDTDP1ALDH1A1
SCHEMBL31621299 0.80 HSP90AA1 (0.57) HSP90AA1HSP90AB1HPGDTDP1ALDH1A1
SCHEMBL6777079 0.80 HPGD (0.54) HSP90AA1HSP90AB1HPGDTDP1ALDH1A1
SCHEMBL13974083 0.80 PGR (0.42) HPGDTDP1ALDH1A1CYP1A2MAPT
SCHEMBL4027372 0.79 PDK1 (0.39) HPGDALDH1A1CYP1A2TSHRMAPK1
SCHEMBL9853906 0.78 MAPK1 (0.39) HSP90AA1HPGDTDP1ALDH1A1CYP1A2
SCHEMBL5924442 0.78 HSP90AA1 (0.63) HSP90AA1HSP90AB1HPGDTDP1ALDH1A1
SCHEMBL11699200 0.78 HPGD (0.66) HSP90AA1HSP90AB1HPGDTDP1ALDH1A1

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
EP-1537075-B1 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2009-07-01 EP disclosed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US 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-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers KIT, ORAI1, CACNA1C HSP90AA1 3909/4885HSP90AB1 3050/4885HPGD 1108/4885

“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.