SCHEMBL17009697

SCHEMBL17009697

COc1cc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c(N)cc1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 18/20 0.44
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL17009694 1.00 IDH1 (0.44) IDH1ALDH1A1HTTHSD17B10
SCHEMBL17009698 1.00 IDH1 (0.44) IDH1ALDH1A1HTTHSD17B10
SCHEMBL17019139 0.92 IDH1 (0.44) IDH1ALDH1A1HTT
SCHEMBL21278740 0.92 IDH1 (0.44) IDH1ALDH1A1HTT
SCHEMBL17019138 0.92 IDH1 (0.44) IDH1ALDH1A1HTT
SCHEMBL19097775 0.87 IDH1 (0.42) IDH1ALDH1A1HSD17B10
SCHEMBL17009672 0.86 IDH1 (0.45) IDH1
SCHEMBL17009671 0.86 IDH1 (0.45) IDH1
SCHEMBL17009669 0.86 IDH1 (0.45) IDH1
SCHEMBL17009857 0.85 IDH1 (0.42) IDH1ALDH1A1HTT

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-3322694-B1 5-HYDROXYALKYLBENZIMIDAZOLES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2020-02-19 EP disclosed
US-10442772-B2 Benzimidazol-2-amines as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-15 US disclosed
US-10414734-B2 5-hydroxyalkylbenzimidazoles as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-09-17 US disclosed
EP-3105209-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-08-21 EP disclosed
US-20180201585-A1 5-HYDROXYALKYLBENZIMIDAZOLES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
EP-3322694-A1 5-HYDROXYALKYLBENZIMIDAZOLES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-23 EP disclosed
US-9957235-B2 Benzimidazol-2-amines as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-01 US disclosed
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 US disclosed
WO-2017009325-A1 5-HYDROXYALKYLBENZIMIDAZOLES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-19 WO disclosed
EP-3105209-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-12-21 EP 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 (4 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-10414734-B2 5-hydroxyalkylbenzimidazoles as mIDH1 inhibitors HRH1, HRH2, MDN1 IDH1 75/4885ALDH1A1 237/4885HTT 1169/4885
US-10442772-B2 Benzimidazol-2-amines as mIDH1 inhibitors HRH1, HRH2, HRH3 IDH1 173/4885ALDH1A1 741/4885HTT 1369/4885
US-20180201585-A1 5-HYDROXYALKYLBENZIMIDAZOLES AS MIDH1 INHIBITORS HRH1, HRH2, MDN1 IDH1 75/4885ALDH1A1 237/4885HTT 1169/4885
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 IDH1 173/4885ALDH1A1 741/4885HTT 1369/4885

“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.