SCHEMBL3010109

SCHEMBL3010109

CC(C)(C)OC(=O)N(I)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 3/20 0.41
NR1D1 P20393 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
CRHR2 Q13324 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
CES1 P23141 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40

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
SCHEMBL6916032 0.84 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL380709 0.83 ALDH1A1 (0.57) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL1954194 0.83 ALDH1A1 (0.47) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL27792480 0.81 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL5285266 0.81 ALDH1A1 (0.45) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL6081269 0.79 ALDH1A1 (0.57) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL29965703 0.79 ALDH1A1 (0.53) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL22109511 0.78 CYP3A4 (0.36) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL3932150 0.77 ALDH1A1 (0.45) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL8727987 0.77 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 WO disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US 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 (2 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA ALDH1A1 976/4885MAPT 4093/4885LMNA 3754/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 ALDH1A1 4454/4885MAPT 406/4885LMNA 1114/4885

“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.