SCHEMBL4023818

SCHEMBL4023818

CN(C)C(=O)c1ccc(-c2ccc(N)c(C#N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
LRRK2 Q5S007 1/20 0.44
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAPT P10636 2/20 0.42
ATR Q13535 2/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDK2 Q15119 1/20 0.40
OTUD7B Q6GQQ9 2/20 0.39
CHEK2 O96017 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MYC P01106 1/20 0.38

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
SCHEMBL4021525 0.88 HPGD (0.41) LRRK2CYP1A2CYP3A4MAPTATR
SCHEMBL6439629 0.85 HPGD (0.54) LMNAMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL5305433 0.81 MYC (0.55) ERN1MYC
SCHEMBL5072719 0.77 TDP1 (0.48) LMNACYP1A2CYP3A4CYP2C9MAPT
SCHEMBL6440297 0.76 CYP1A2 (0.53) LMNACYP1A2CYP3A4CYP2C9MAPT
SCHEMBL18924375 0.76 NSD2 (0.51) ERN1HPGDALDH1A1SMN1; SMN2PDK2
SCHEMBL24690186 0.75 ERN1 (0.43) ERN1LRRK2LMNACYP1A2CYP3A4
SCHEMBL30020530 0.75 ERN1 (0.43) ERN1LRRK2LMNACYP1A2CYP3A4
SCHEMBL10626283 0.75 ALDH1A1 (0.64) ERN1LRRK2LMNACYP1A2CYP3A4
SCHEMBL22221034 0.74 LMNA (0.43) ERN1LMNACYP1A2CYP3A4CYP2C9

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 ERN1 4826/4885LRRK2 2594/4885LMNA 2967/4885

“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.