SCHEMBL17009709

SCHEMBL17009709

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
PTPN7 P35236 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HIF1A Q16665 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
VCAM1 P19320 1/20 0.45
RAPGEF3 O95398 1/20 0.45
ALOX15 P16050 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL31415219 1.00 MAPT (0.51) MAPTKDM4EPTPN7ALDH1A1HIF1A
SCHEMBL6968807 0.88 RAPGEF3 (0.53) MAPTPTPN7ALDH1A1MEN1KMT2A
SCHEMBL213877 0.86 PTPN7 (0.51) MAPTPTPN7ALDH1A1MEN1KMT2A
SCHEMBL19212367 0.84 MAPT (0.57) MAPTKDM4EALDH1A1HIF1AMEN1
SCHEMBL17066157 0.82 MAPT (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL31415261 0.82 MAPT (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL11188562 0.82 MCL1 (0.59) MAPTPTPN7ALDH1A1MEN1KMT2A
SCHEMBL30949342 0.82 PARP1 (0.49) MAPTPTPN7ALDH1A1MEN1KMT2A
SCHEMBL17935270 0.81 MAPT (0.51) MAPTKDM4EALDH1A1HIF1AMEN1
SCHEMBL14334126 0.80 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HIF1AMEN1

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-10442772-B2 Benzimidazol-2-amines as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-15 US disclosed
EP-3105209-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-08-21 EP disclosed
EP-3105210-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
US-9957235-B2 Benzimidazol-2-amines as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-01 US disclosed
US-9951027-B2 Benzimidazol-2-amines as MIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-20170197921-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-3105209-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-12-21 EP 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-2015121210-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 (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-10442772-B2 Benzimidazol-2-amines as mIDH1 inhibitors HRH1, HRH2, HRH3 MAPT 3046/4885KDM4E 1923/4885PTPN7 3445/4885
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 MAPT 3055/4885KDM4E 1954/4885PTPN7 3443/4885
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 MAPT 3046/4885KDM4E 1923/4885PTPN7 3445/4885

“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.