SCHEMBL17010474

SCHEMBL17010474

Cc1c(C(=O)O)ccc(NC2CC(C)(C)CC(C)(C)C2)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
IDH1 O75874 4/20 0.36
PTPN1 P18031 2/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PTPN2 P17706 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL17009690 0.87 PTGER4 (0.55) PTGER4IDH1KDM4ENPC1RAB9A
SCHEMBL28306195 0.86 ALDH1A1 (0.42) PTGER4IDH1KDM4ENPC1CASP3
SCHEMBL17009890 0.77 PTGER4 (0.42) PTGER4IDH1PTPN1KDM4ENPC1
SCHEMBL17009810 0.77 PTGER4 (0.42) PTGER4IDH1KDM4ENPC1CASP3
SCHEMBL17009991 0.74 ALOX15 (0.39) PTPN1KDM4ENPC1HSD17B10PTPN2
SCHEMBL17010418 0.74 PTGER4 (0.52) PTGER4IDH1KDM4ETDP1
SCHEMBL17010419 0.74 PTGER4 (0.52) PTGER4IDH1KDM4ETDP1
SCHEMBL17010421 0.74 PTGER4 (0.52) PTGER4IDH1KDM4ETDP1
SCHEMBL20685310 0.73 PTGER4 (0.54) PTGER4IDH1KDM4EHSD17B10ALOX15
SCHEMBL555823 0.72 KDM4E (0.48) PTPN1KDM4ENPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209660-B1 1-CYCLOHEXYL-2-PHENYLAMINOBENZIMIDAZOLES AS MIDH1 INHIBITORS FOR THE TREATMENT OF TUMORS DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OEFFENTLICHEN RECHTS (DE) 2020-06-17 EP disclosed
EP-3105210-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
US-10137110-B2 1-cyclohexyl-2-phenylaminobenzimidazoles as mIDH1 inhibitors for the treatment of tumors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
US-9951027-B2 Benzimidazol-2-amines as MIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-20170319549-A1 1-CYCLOHEXYL-2-PHENYLAMINOBENZIMIDAZOLES AS MIDH1 INHIBITORS FOR THE TREATMENT OF TUMORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-09 US disclosed
EP-3209660-A1 1-CYCLOHEXYL-2-PHENYLAMINOBENZIMIDAZOLES AS MIDH1 INHIBITORS FOR THE TREATMENT OF TUMORS Bayer Pharma Aktiengesellschaft (DE) 2017-08-30 EP 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
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 (3 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-20170319549-A1 1-CYCLOHEXYL-2-PHENYLAMINOBENZIMIDAZOLES AS MIDH1 INHIBITORS FOR THE TREATMENT OF TUMORS HRH1, MDN1, MDH1 PTGER4 3666/4885IDH1 58/4885PTPN1 3079/4885
US-10137110-B2 1-cyclohexyl-2-phenylaminobenzimidazoles as mIDH1 inhibitors for the treatment of tumors HRH1, MDN1, MDH1 PTGER4 3666/4885IDH1 58/4885PTPN1 3079/4885
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 PTGER4 4012/4885IDH1 166/4885PTPN1 3237/4885

“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.