Sugi Predict

Sugi Predict / Compounds / SCHEMBL17010459

SCHEMBL17010459

SCHEMBL17010459

COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ HCAR3 P49019 3/20 0.38
▸ IDH1 O75874 7/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ABCC4 O15439 1/20 0.35
▸ PLIN1 O60240 1/20 0.35
▸ CACNA1F O60840 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ KCNK2 O95069 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
SCHEMBL17010458 1.00 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17010404 1.00 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17010400 1.00 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17010402 1.00 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17010008 0.88 MAPT (0.39) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17009676 0.88 PKM (0.36) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17009673 0.88 PKM (0.36) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17010002 0.88 MAPT (0.39) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17009675 0.88 PKM (0.36) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17010006 0.88 MAPT (0.39) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107949557-B 2-aryl-and 2-aralkyl-benzimidazoles as mIDH1 inhibitors 德国癌症研究公共权益基金会 2021-11-02 — — CN disclosed
CN-108026052-B 5-hydroxyalkyl benzimidazoles as mIDH1 inhibitors 德国癌症研究公共权益基金会 2021-10-08 — — CN disclosed
EP-3319945-B1 2-ARYL- AND 2-ARYLALKYL-BENZIMIDAZOLES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OEFFENTLICHEN RECHTS (DE) 2021-04-28 — — EP disclosed
EP-3322694-B1 5-HYDROXYALKYLBENZIMIDAZOLES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2020-02-19 — — EP disclosed
US-10414734-B2 5-hydroxyalkylbenzimidazoles as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-09-17 — — US disclosed
EP-3105210-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-01-30 — — EP disclosed
US-10179123-B2 2-aryl- and 2-arylalkyl-benzimidazoles as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-15 — — US disclosed
US-20180207137-A1 2-ARYL- AND 2-ARYLALKYL-BENZIMIDAZOLES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-26 — — US 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
EP-3319945-A1 2-ARYL- AND 2-ARYLALKYL-BENZIMIDAZOLES AS MIDH1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2018-05-16 — — EP 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
WO-2017009325-A1 5-HYDROXYALKYLBENZIMIDAZOLES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-19 — — WO disclosed
WO-2017005674-A1 2-ARYL- AND 2-ARYLALKYL-BENZIMIDAZOLES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-12 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 PDGFRB 187/4885FGFR1 1083/4885PDGFRA 390/4885
US-20180207137-A1 2-ARYL- AND 2-ARYLALKYL-BENZIMIDAZOLES AS MIDH1 INHIBITORS HRH1, MDN1, NAT1 PDGFRB 217/4885FGFR1 311/4885PDGFRA 248/4885
US-10179123-B2 2-aryl- and 2-arylalkyl-benzimidazoles as mIDH1 inhibitors HRH1, MDN1, NAT1 PDGFRB 217/4885FGFR1 311/4885PDGFRA 248/4885
US-20180201585-A1 5-HYDROXYALKYLBENZIMIDAZOLES AS MIDH1 INHIBITORS HRH1, HRH2, MDN1 PDGFRB 187/4885FGFR1 1083/4885PDGFRA 390/4885
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 PDGFRB 477/4885FGFR1 1055/4885PDGFRA 437/4885

“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.