SCHEMBL4026326

SCHEMBL4026326

Nc1ccc(-c2nnn[nH]2)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4029411 0.86 TDP1 (0.32) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL7315346 0.83 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4ENPC1
Hydrochloric Acid SCHEMBL16176998 0.82 TDP1 (0.46) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL4022838 0.80 GAA (0.38) CA1CA2CA9MAPT
SCHEMBL6621917 0.79 NPC1 (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL4399156 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AUSP2CA12
SCHEMBL10254355 0.79 ALOX15 (0.39) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL5815024 0.79 PARP1 (0.40) MAPTTDP1HSD17B10
SCHEMBL23291740 0.76 KDM4E (0.33) KDM4EMAPT
SCHEMBL10254581 0.76 TYMP (0.40) ALDH1A1KDM4ENPC1MAPTPKM

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 ALDH1A1 1538/4885MEN1 1915/4885KMT2A 774/4885

“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.