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Sugi Predict / Compounds / SCHEMBL17009690

SCHEMBL17009690

SCHEMBL17009690

COC(=O)c1ccc(NC2CC(C)(C)CC(C)(C)C2)c(N)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.55
▸ IDH1 O75874 8/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.35
▸ GAA P10253 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CFTR P13569 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ ALOX15 P16050 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17009810 0.88 PTGER4 (0.42) PTGER4IDH1YAP1ALDH1A1GAA
SCHEMBL17009890 0.88 PTGER4 (0.42) PTGER4IDH1YAP1ALDH1A1GAA
SCHEMBL17010474 0.87 PTGER4 (0.40) PTGER4IDH1HSD17B10KDM4EALOX15
SCHEMBL17010418 0.86 PTGER4 (0.52) PTGER4IDH1YAP1ALDH1A1KDM4E
SCHEMBL17010421 0.86 PTGER4 (0.52) PTGER4IDH1YAP1ALDH1A1KDM4E
SCHEMBL17010419 0.86 PTGER4 (0.52) PTGER4IDH1YAP1ALDH1A1KDM4E
SCHEMBL20685310 0.85 PTGER4 (0.54) PTGER4IDH1YAP1ALDH1A1GAA
SCHEMBL17009705 0.82 MAPT (0.38) PTGER4IDH1YAP1ALDH1A1KDM4E
SCHEMBL5116377 0.80 PTGER4 (0.62) PTGER4YAP1ALDH1A1GAAHSD17B10
SCHEMBL17009792 0.79 ALOX15 (0.38) PTGER4IDH1YAP1ALDH1A1GAA

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 28 patents — showing the first 20. 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-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-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
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
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 — — US disclosed
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 — — US disclosed
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 — — US disclosed
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 — — US 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-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
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 (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 PTGER4 3217/4885IDH1 75/4885YAP1 4481/4885
US-10442772-B2 Benzimidazol-2-amines as mIDH1 inhibitors HRH1, HRH2, HRH3 PTGER4 4009/4885IDH1 173/4885YAP1 3307/4885
US-20180201585-A1 5-HYDROXYALKYLBENZIMIDAZOLES AS MIDH1 INHIBITORS HRH1, HRH2, MDN1 PTGER4 3217/4885IDH1 75/4885YAP1 4481/4885
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 PTGER4 4012/4885IDH1 166/4885YAP1 3310/4885
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 PTGER4 4009/4885IDH1 173/4885YAP1 3307/4885

“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.