SCHEMBL7149901

SCHEMBL7149901

COc1ccc(C(=O)Nc2ccccc2)cc1NCc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 9/20 0.60
KMT2A Q03164 9/20 0.60
LMNA P02545 1/20 0.56
MAPT P10636 4/20 0.55
HDAC8 Q9BY41 3/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.52
CRHBP P24387 1/20 0.52
HTT P42858 1/20 0.52
CRHR2 Q13324 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ABCB1 P08183 3/20 0.52
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL7153142 0.93 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL7155932 0.85 MEN1 (0.69) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL7155887 0.84 HDAC1 (0.65) ALDH1A1CYP3A4TDP1MEN1KMT2A
SCHEMBL7154830 0.83 HDAC1 (0.67) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL7150142 0.82 HDAC8 (0.77) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL7147213 0.82 HDAC8 (0.69) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL7154745 0.81 HDAC8 (0.61) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL7149284 0.81 HDAC8 (0.65) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL7150002 0.81 HDAC8 (0.67) MEN1KMT2AHDAC8HDAC1HDAC6
SCHEMBL7154766 0.81 HDAC1 (0.67) ALDH1A1CYP3A4TSHRTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US claimed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP claimed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO claimed
US-6528528-B2 Inhibitors of 15-lipoxygenase, inhibiting chemotaxis of monocytes WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US disclosed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP disclosed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 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-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis TPMT, CTH, CBS ALDH1A1 369/4885CYP3A4 933/4885TSHR 901/4885

“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.