SCHEMBL4029411

SCHEMBL4029411

Nc1cc(-c2nnn[nH]2)ccc1Br

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4026326 0.86 ALDH1A1 (0.35) TDP1MAPTHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL16176998 0.82 TDP1 (0.46) TDP1LMNAMAPTCYP2C9CYP2C19
SCHEMBL4083350 0.79 TSHR (0.39) TDP1LMNAMAPTCYP2C9CYP2C19
SCHEMBL26230907 0.79 ALDH1A1 (0.46) TDP1LMNAMAPTCYP2C9CYP2C19
SCHEMBL10321032 0.79 ALDH1A1 (0.48) TDP1LMNAMAPTCYP2C9CYP2C19
SCHEMBL23291740 0.79 KDM4E (0.33) MAPT
SCHEMBL10254581 0.79 TYMP (0.40) TDP1MAPTALDH1A1
SCHEMBL10145320 0.79 HSD17B10 (0.53) TDP1LMNAMAPTCYP2C9CYP2C19
SCHEMBL7315346 0.79 ALDH1A1 (0.53) TDP1LMNAMAPTHSD17B10MEN1
Hydrochloric Acid SCHEMBL952763 0.78 HSD17B10 (0.51) TDP1LMNAMAPTCYP2C9CYP2C19

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 6 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
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 TDP1 4746/4885LMNA 2967/4885MAPT 4510/4885

“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.