SCHEMBL7425083

SCHEMBL7425083

COC(=O)Cc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
GAA P10253 2/20 0.57
GFER P55789 1/20 0.57
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46

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
SCHEMBL6209939 0.88 ALDH1A1 (0.61) ALDH1A1GAAGFERLMNATSHR
SCHEMBL4850663 0.86 LMNA (0.47) ALDH1A1GAALMNATSHRMAPT
SCHEMBL30848995 0.86 LMNA (0.51) ALDH1A1GAALMNATSHRMAPT
SCHEMBL392679 0.86 LMNA (0.51) ALDH1A1GAALMNATSHRMAPT
SCHEMBL16412469 0.84 PDGFRB (0.57) ALDH1A1GAAGFERTSHRMAPT
SCHEMBL31170840 0.84 ALDH1A1 (0.59) ALDH1A1GAAGFERLMNATSHR
SCHEMBL20045093 0.84 PDGFRB (0.53) ALDH1A1GAAGFERLMNATSHR
SCHEMBL286994 0.84 ALDH1A1 (0.59) ALDH1A1GAAGFERLMNATSHR
SCHEMBL15068128 0.83 TSHR (0.53) ALDH1A1GAALMNATSHRMAPT
SCHEMBL9827496 0.83 ALDH1A1 (0.52) ALDH1A1GAAGFERLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
CN-116583501-A Compounds and compositions for treating conditions associated with LPA receptor activity 罗特斯生物公司 2023-08-11 CN disclosed
WO-2022083703-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LHOTSE BIO, INC. (US) 2022-04-28 WO disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO disclosed
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 US disclosed
EP-2736330-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
CN-1268604-C Industrial preparation method for 3-amino phenylacetic acid UNIV EAST CHINA SCIENCE & TECH (CN) 2006-08-09 CN disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN disclosed
EP-1133484-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB ALDH1A1 118/4885GAA 839/4885GFER 3887/4885
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 ALDH1A1 1641/4885GAA 563/4885GFER 3369/4885
US-20140315881-A1 COMPOUNDS AND METHODS RORC, RORB, RORA ALDH1A1 820/4885GAA 1822/4885GFER 2159/4885

“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.