Sugi Predict

Sugi Predict / Compounds / SCHEMBL17010002

SCHEMBL17010002

SCHEMBL17010002

COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ IDH1 O75874 11/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ KDR P35968 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
SCHEMBL17010008 1.00 MAPT (0.39) MAPTIDH1NPSR1L3MBTL1CHEK1
SCHEMBL17010006 1.00 MAPT (0.39) MAPTIDH1NPSR1L3MBTL1CHEK1
SCHEMBL28634152 0.92 NPSR1 (0.41) MAPTIDH1NPSR1L3MBTL1KDM4E
SCHEMBL17010402 0.88 PDGFRB (0.46) MAPTIDH1L3MBTL1KMT2AKDM4E
SCHEMBL17010459 0.88 PDGFRB (0.46) MAPTIDH1L3MBTL1KMT2AKDM4E
SCHEMBL17010404 0.88 PDGFRB (0.46) MAPTIDH1L3MBTL1KMT2AKDM4E
SCHEMBL17010458 0.88 PDGFRB (0.46) MAPTIDH1L3MBTL1KMT2AKDM4E
SCHEMBL17010400 0.88 PDGFRB (0.46) MAPTIDH1L3MBTL1KMT2AKDM4E
SCHEMBL17009673 0.88 PKM (0.36) MAPTIDH1NPSR1L3MBTL1MEN1
SCHEMBL17009676 0.88 PKM (0.36) MAPTIDH1NPSR1L3MBTL1MEN1

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 23 patents — showing the first 20. 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-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
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-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-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 — — 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
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
EP-3105209-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 (6 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 MAPT 4364/4885IDH1 75/4885NPSR1 4781/4885
US-20180207137-A1 2-ARYL- AND 2-ARYLALKYL-BENZIMIDAZOLES AS MIDH1 INHIBITORS HRH1, MDN1, NAT1 MAPT 4566/4885IDH1 44/4885NPSR1 4757/4885
US-10179123-B2 2-aryl- and 2-arylalkyl-benzimidazoles as mIDH1 inhibitors HRH1, MDN1, NAT1 MAPT 4566/4885IDH1 44/4885NPSR1 4757/4885
US-10442772-B2 Benzimidazol-2-amines as mIDH1 inhibitors HRH1, HRH2, HRH3 MAPT 3046/4885IDH1 173/4885NPSR1 4219/4885
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 MAPT 3055/4885IDH1 166/4885NPSR1 4188/4885
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 MAPT 3046/4885IDH1 173/4885NPSR1 4219/4885

“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.