SCHEMBL5484599

SCHEMBL5484599

O=C(O)CCc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HIF1A Q16665 1/20 0.49
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
VCAM1 P19320 1/20 0.46
FFAR1 O14842 5/20 0.46
FFAR4 Q5NUL3 1/20 0.46
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
FBP1 P09467 1/20 0.42
MITF O75030 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42

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
SCHEMBL10982297 0.88 ATM (0.50) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL15270328 0.86 LMNA (0.52) LMNAALDH1A1MEN1KMT2AHIF1A
SCHEMBL5362455 0.86 LMNA (0.52) LMNAALDH1A1MEN1KMT2AHIF1A
SCHEMBL2656422 0.84 LMNA (0.53) LMNAALDH1A1MEN1KMT2AHIF1A
SCHEMBL2648717 0.84 LMNA (0.53) LMNAALDH1A1MEN1KMT2AHIF1A
SCHEMBL29999641 0.83 POLB (0.51) LMNAALDH1A1MAPTSMN1; SMN2FFAR1
SCHEMBL3533309 0.83 POLB (0.51) LMNAALDH1A1MAPTSMN1; SMN2FFAR1
SCHEMBL14565801 0.82 LMNA (0.52) LMNAALDH1A1MEN1KMT2AHIF1A
SCHEMBL29988362 0.82 ALDH1A1 (0.53) LMNAALDH1A1MEN1KMT2AHIF1A
SCHEMBL2340873 0.82 ALDH1A1 (0.53) LMNAALDH1A1MEN1KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222871-A1 METHOD FOR PREPARING SUBSTITUTED 3-(2-ANILINO-1-CYCLOHEXYL-1H-BENZIMIDAZOL-5-YL)PROPANOIC ACID DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-09 US claimed
EP-3328838-A1 METHOD FOR PREPARING SUBSTITUTED 3-(2-ANILINO-1-CYCLOHEXYL-1H-BENZIMIDAZOL-5-YL)PROPANOIC ACID DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-06-06 EP claimed
WO-2017017046-A1 METHOD FOR PREPARING SUBSTITUTED 3-(2-ANILINO-1-CYCLOHEXYL-1H-BENZIMIDAZOL-5-YL)PROPANOIC ACID DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-02 WO claimed
CN-107848985-B Process for preparing substituted 3- (2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl) propionic acid derivatives 德国癌症研究公共权益基金会 2021-09-03 CN disclosed
US-10703727-B2 Method for preparing substituted 3-(2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl)propanoic acid derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-07-07 US disclosed
US-10703727-B2 Method for preparing substituted 3-(2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl)propanoic acid derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-07-07 US disclosed
US-10442772-B2 Benzimidazol-2-amines as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-15 US disclosed
EP-3105209-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-08-21 EP disclosed
US-20180222871-A1 METHOD FOR PREPARING SUBSTITUTED 3-(2-ANILINO-1-CYCLOHEXYL-1H-BENZIMIDAZOL-5-YL)PROPANOIC ACID DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-09 US disclosed
US-20180222871-A1 METHOD FOR PREPARING SUBSTITUTED 3-(2-ANILINO-1-CYCLOHEXYL-1H-BENZIMIDAZOL-5-YL)PROPANOIC ACID DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-09 US disclosed
EP-3328838-A1 METHOD FOR PREPARING SUBSTITUTED 3-(2-ANILINO-1-CYCLOHEXYL-1H-BENZIMIDAZOL-5-YL)PROPANOIC ACID DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-06-06 EP disclosed
US-9957235-B2 Benzimidazol-2-amines as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-01 US disclosed
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 US disclosed
WO-2017017046-A1 METHOD FOR PREPARING SUBSTITUTED 3-(2-ANILINO-1-CYCLOHEXYL-1H-BENZIMIDAZOL-5-YL)PROPANOIC ACID DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-02 WO 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
EP-1663988-B1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-04-16 EP disclosed
US-20070066606-A1 Benzylbenzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
EP-1663988-A1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GmbH (DE) 2006-06-07 EP disclosed
WO-2005028448-A1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2005-03-31 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-10703727-B2 Method for preparing substituted 3-(2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl)propanoic acid derivatives HCAR3, AKR1C3, HCAR2 LMNA 786/4885ALDH1A1 220/4885MEN1 1638/4885
US-20070066606-A1 Benzylbenzimidazolyl derivatives TIE1, KDR, FLT1 LMNA 3932/4885ALDH1A1 745/4885MEN1 2354/4885
US-20180222871-A1 METHOD FOR PREPARING SUBSTITUTED 3-(2-ANILINO-1-CYCLOHEXYL-1H-BENZIMIDAZOL-5-YL)PROPANOIC ACID DERIVATIVES HCAR3, AKR1C3, HCAR2 LMNA 786/4885ALDH1A1 220/4885MEN1 1638/4885
US-10442772-B2 Benzimidazol-2-amines as mIDH1 inhibitors HRH1, HRH2, HRH3 LMNA 1895/4885ALDH1A1 741/4885MEN1 25/4885
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 LMNA 1895/4885ALDH1A1 741/4885MEN1 25/4885

“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.