SCHEMBL1241632

SCHEMBL1241632

CC(C)(C)c1ccc(CNc2ccc(Br)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CCR9 P51686 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL1242644 0.84 MAPT (0.43) MEN1CYP1A2CYP2C19KMT2ACA1
SCHEMBL1241624 0.82 MEN1 (0.42) MEN1CYP1A2CYP2C19KMT2ACA1
SCHEMBL1239554 0.81 HDAC8 (0.43) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL6155194 0.76 MEN1 (0.42) MEN1CYP1A2CYP2C19KMT2ACA1
SCHEMBL13581155 0.74 AGER (0.61) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL6153551 0.73 CA1 (0.52) MEN1CYP1A2CYP2C19KMT2ACA1
SCHEMBL1241386 0.73 CA1 (0.48) MEN1KMT2ACA1CA2
SCHEMBL13788839 0.72 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8294258 0.72 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL12952776 0.72 CA1 (0.56) CYP1A2CYP2C19CA1CA2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142340-A1 Fluoroacylated Arylamines XEROX CORPORATION (US) 2014-05-22 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US 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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 MEN1 1711/4885CYP1A2 525/4885CYP2C19 1414/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 MEN1 1711/4885CYP1A2 525/4885CYP2C19 1414/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 MEN1 210/4885CYP1A2 1158/4885CYP2C19 1903/4885

“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.