SCHEMBL17009787

SCHEMBL17009787

CC1CC(Nc2cc(F)c(CC(=O)O)cc2[N+](=O)[O-])CC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.40
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
HCAR3 P49019 3/20 0.36
AKR1B1 P15121 1/20 0.36
PKM P14618 1/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
PPP1CA P62136 1/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL17009781 1.00 IDH1 (0.40) IDH1ALDH1A1HTTMAPTMAPK1
SCHEMBL17009784 1.00 IDH1 (0.40) IDH1ALDH1A1HTTMAPTMAPK1
SCHEMBL17009788 1.00 IDH1 (0.40) IDH1ALDH1A1HTTMAPTMAPK1
SCHEMBL28644741 0.90 IDH1 (0.41) IDH1ALDH1A1HTTMAPTMAPK1
SCHEMBL28644743 0.90 IDH1 (0.41) IDH1ALDH1A1HTTMAPTMAPK1
SCHEMBL19097759 0.89 IDH1 (0.39) IDH1ALDH1A1HTTMAPTMAPK1
SCHEMBL19097762 0.89 IDH1 (0.39) IDH1ALDH1A1HTTMAPTMAPK1
SCHEMBL19097760 0.89 IDH1 (0.39) IDH1ALDH1A1HTTMAPTMAPK1
SCHEMBL19097761 0.89 IDH1 (0.39) IDH1ALDH1A1HTTMAPTMAPK1
SCHEMBL17009789 0.88 PKM (0.40) IDH1ALDH1A1MAPTMAPK1SMN1; SMN2

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.