SCHEMBL4026733

SCHEMBL4026733

CNC(=O)CCc1ccc(N)c(-c2nnn[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
PCNA P12004 1/20 0.33
IGF1R P08069 3/20 0.33
FFAR1 O14842 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
CDC25B P30305 1/20 0.32
CASP6 P55212 1/20 0.32
RCE1 Q9Y256 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL4021388 0.86 PTPN1 (0.40) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL4022857 0.76 THRB (0.39) HPGDTSHRHDAC1HDAC6CCNC
SCHEMBL4026316 0.71 PELI1 (0.39) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL4026319 0.71 PELI1 (0.39) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL4025972 0.71 TERT (0.36) CASP6
SCHEMBL4026769 0.69 MAPT (0.36) ALDH1A1MAPTHPGD
SCHEMBL4021504 0.68 HPGD (0.42) ALDH1A1MAPTHPGDCYP1A2
SCHEMBL3745750 0.68 HCAR2 (0.52) HDAC1HDAC8
SCHEMBL4030744 0.68 KDM4E (0.47) ALDH1A1KDM4EMAPTHPGDHIF1A
SCHEMBL3016713 0.68 ALOX15 (0.49) ALDH1A1KDM4EGAAMAPTALOX15

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
EP-1537075-B1 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2009-07-01 EP disclosed
CN-100497302-C Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH AS (DK) 2009-06-10 CN disclosed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US disclosed
CN-1678573-A Diaryl urea derivatives and their use as chlorine channel blockers NEUROSEARCH AS (DK) 2005-10-05 CN 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 CYP4F2 3623/4885CYP4A11 3877/4885ALDH1A1 1538/4885

“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.