Sugi Predict

Sugi Predict / Compounds / SCHEMBL17009705

SCHEMBL17009705

SCHEMBL17009705

COC(=O)c1ccc(NC2CC(C)(C)CC(C)(C)C2)c([N+](=O)[O-])c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ IDH1 O75874 1/20 0.36
▸ YAP1 P46937 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ OPRK1 P41145 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 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
SCHEMBL17010431 0.88 ALDH1A1 (0.37) MAPTSMN1; SMN2ALDH1A1LMNACRHBP
SCHEMBL17010428 0.88 ALDH1A1 (0.37) MAPTSMN1; SMN2ALDH1A1LMNACRHBP
SCHEMBL17010430 0.88 ALDH1A1 (0.37) MAPTSMN1; SMN2ALDH1A1LMNACRHBP
SCHEMBL5122414 0.82 YAP1 (0.53) MAPTSMN1; SMN2ALDH1A1LMNACRHBP
SCHEMBL17009690 0.82 PTGER4 (0.55) MAPTSMN1; SMN2ALDH1A1PTGER4IDH1
SCHEMBL17009695 0.77 PDGFRB (0.48) MAPTSMN1; SMN2ALDH1A1LMNACRHBP
SCHEMBL2426533 0.76 KDM4E (0.46) MAPTSMN1; SMN2ALDH1A1LMNAPTGER4
SCHEMBL19280777 0.76 HCAR3 (0.55) MAPTALDH1A1CRHBPCRHR2PTGER4
SCHEMBL17009810 0.75 PTGER4 (0.42) MAPTSMN1; SMN2ALDH1A1PTGER4IDH1
SCHEMBL17009890 0.75 PTGER4 (0.42) MAPTSMN1; SMN2ALDH1A1PTGER4IDH1

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-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-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-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-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
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-2015121210-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 — — WO 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 MAPT 4364/4885SMN1; SMN2 3136/4885ALDH1A1 237/4885
US-10442772-B2 Benzimidazol-2-amines as mIDH1 inhibitors HRH1, HRH2, HRH3 MAPT 3046/4885SMN1; SMN2 651/4885ALDH1A1 741/4885
US-20180201585-A1 5-HYDROXYALKYLBENZIMIDAZOLES AS MIDH1 INHIBITORS HRH1, HRH2, MDN1 MAPT 4364/4885SMN1; SMN2 3136/4885ALDH1A1 237/4885
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 MAPT 3055/4885SMN1; SMN2 638/4885ALDH1A1 706/4885
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 MAPT 3046/4885SMN1; SMN2 651/4885ALDH1A1 741/4885

“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.