SCHEMBL4024368

SCHEMBL4024368

Nc1ccc(C(=O)N2CCCCC2)cc1-c1nnn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
LRRK2 Q5S007 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLA2G7 Q13093 1/20 0.42
POLB P06746 1/20 0.41
AR P10275 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 2/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4024297 0.91 HPGD (0.45) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL6188567 0.83 ALDH1A1 (0.44) HPGDALDH1A1NPC1GAARAB9A
SCHEMBL8947386 0.79 HPGD (0.57) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL5950126 0.75 MAPT (0.43) HPGDALDH1A1NPC1GAARAB9A
SCHEMBL5950379 0.75 MAPT (0.50) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5950578 0.75 MAPT (0.48) HPGDALDH1A1NPC1GAARAB9A
SCHEMBL4026769 0.74 MAPT (0.36) HPGDALDH1A1LRRK2SMN1; SMN2POLB
SCHEMBL4022857 0.74 THRB (0.39) HPGDSMN1; SMN2TSHRCA2
SCHEMBL2954121 0.74 HPGD (0.66) HPGDALDH1A1NPC1GAARAB9A
SCHEMBL5950007 0.73 HPGD (0.42) HPGDALDH1A1NPC1RAB9APOLB

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
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US disclosed
EP-1537075-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2005-06-08 EP disclosed
WO-2004022529-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers KIT, ORAI1, CACNA1C HPGD 1108/4885ALDH1A1 1538/4885NPC1 1382/4885

“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.