SCHEMBL5097404

SCHEMBL5097404

O=C(O)C1CCCN1C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
TSHR P16473 2/20 0.66
HPGD P15428 1/20 0.66
KMT2A Q03164 2/20 0.61
THRB P10828 1/20 0.61
ALOX12 P18054 1/20 0.61
POLB P06746 1/20 0.60
DGAT1 O75907 1/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MEN1 O00255 1/20 0.59
RECQL P46063 1/20 0.59
LMNA P02545 1/20 0.56
ITGB3 P05106 1/20 0.55
ITGB1 P05556 1/20 0.55
ITGAV P06756 1/20 0.55
ITGA5 P08648 1/20 0.55
ITGA4 P13612 1/20 0.55
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL5949984 0.87 KMT2A (0.63) ALDH1A1TSHRHPGDKMT2ATHRB
SCHEMBL4186674 0.85 KMT2A (0.76) ALDH1A1KMT2ATHRBALOX12POLB
SCHEMBL5949980 0.85 THRB (0.61) ALDH1A1TSHRKMT2ATHRBALOX12
SCHEMBL5734080 0.84 THRB (0.75) KMT2ATHRBALOX12DGAT1ITGB3
SCHEMBL4190364 0.84 THRB (0.75) KMT2ATHRBALOX12DGAT1ITGB3
SCHEMBL20446598 0.84 THRB (0.75) KMT2ATHRBALOX12DGAT1ITGB3
SCHEMBL31664875 0.81 ALDH1A1 (0.61) ALDH1A1TSHRHPGDKMT2APOLB
SCHEMBL7309663 0.81 THRB (0.70) ALDH1A1TSHRHPGDKMT2ATHRB
SCHEMBL16099706 0.80 ITGB3 (0.54) ALDH1A1TSHRHPGDKMT2ATHRB
SCHEMBL16099707 0.80 ITGB3 (0.54) ALDH1A1TSHRHPGDKMT2ATHRB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US claimed
JP-2005538152-A 2005-12-15 JP claimed
EP-1537075-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2005-06-08 EP claimed
WO-2004022529-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO claimed
US-7407972-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. (US) 2008-08-05 US disclosed
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC 2006-11-23 US disclosed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US disclosed
US-20050267118-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2005-12-01 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 (3 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-20050267118-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 ALDH1A1 2756/4885TSHR 2810/4885HPGD 1285/4885
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers KIT, ORAI1, CACNA1C ALDH1A1 1538/4885TSHR 4363/4885HPGD 1108/4885
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI ALDH1A1 2421/4885TSHR 2687/4885HPGD 1734/4885

“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.