SCHEMBL1405010

SCHEMBL1405010

COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cc(C(=O)N[C@H](C)c3ccccc3)nn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
NR1I2 O75469 8/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1404778 0.89 MEN1 (0.42) MEN1KMT2APOLBPPARGPPARA
SCHEMBL4508137 0.87 MEN1 (0.50) MEN1KMT2APOLBPPARGPPARA
SCHEMBL13757136 0.85 BRAF (0.46) BRAF
SCHEMBL13757173 0.85 BRAF (0.46) BRAF
SCHEMBL1404785 0.85 MEN1 (0.50) MEN1KMT2APOLBPPARGPPARA
SCHEMBL1404898 0.85 MIF (0.51) MEN1KMT2APOLBPPARGPPARA
SCHEMBL13843783 0.85 NR1H4 (0.42) MEN1KMT2APOLBPPARGPPARA
SCHEMBL1404739 0.81 BRAF (0.38) BRAF
SCHEMBL1380367 0.81 BRAF (0.38) BRAF
SCHEMBL1404781 0.81 MEN1 (0.49) MEN1KMT2APOLBPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692116-B1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMA (US) 2011-03-09 EP claimed
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 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 (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-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN MEN1 3548/4885KMT2A 4746/4885POLB 3573/4885

“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.