SCHEMBL17010448

SCHEMBL17010448

COC(=O)c1cc(N)c(NC2CC(C)(C)CC(C)(C)C2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
KDM4E B2RXH2 8/20 0.43
IDH1 O75874 3/20 0.39
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 4/20 0.36
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 6/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
YAP1 P46937 1/20 0.35

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
SCHEMBL17009707 0.87 GAA (0.43) GAAKDM4EIDH1HTTALDH1A1
SCHEMBL17009701 0.87 GAA (0.43) GAAKDM4EIDH1HTTALDH1A1
SCHEMBL17009704 0.87 GAA (0.43) GAAKDM4EIDH1HTTALDH1A1
SCHEMBL17009792 0.86 ALOX15 (0.38) GAAKDM4EIDH1HPGDALDH1A1
SCHEMBL21278780 0.86 GAA (0.42) GAAKDM4EHTTPOLBHPGD
SCHEMBL19097775 0.80 IDH1 (0.42) IDH1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL17019140 0.80 IDH1 (0.42) GAAIDH1ALDH1A1HSD17B10TSHR
SCHEMBL17009690 0.78 PTGER4 (0.55) GAAKDM4EIDH1HPGDALDH1A1
SCHEMBL17010472 0.78 ALOX15 (0.52) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL23280106 0.78 IDH1 (0.39) GAAKDM4EIDH1HTTALDH1A1

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
EP-3105210-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
EP-3105210-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
US-9951027-B2 Benzimidazol-2-amines as MIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9951027-B2 Benzimidazol-2-amines as MIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9951027-B2 Benzimidazol-2-amines as MIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 US disclosed
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 US disclosed
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 US disclosed
EP-3105210-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-12-21 EP disclosed
WO-2015121209-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
WO-2015121209-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 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-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 GAA 1647/4885KDM4E 1954/4885IDH1 166/4885

“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.