SCHEMBL3010106

SCHEMBL3010106

CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 2/20 0.47
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
ATM Q13315 1/20 0.42
KCNMA1 Q12791 1/20 0.42
KMT2A Q03164 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
SCHEMBL28573397 0.85 NPC1 (0.60) HTTPKMMAPTNPC1RAB9A
SCHEMBL1954190 0.85 CXCR1 (0.54) HTTPKMMAPTNPC1RAB9A
SCHEMBL15160073 0.85 HTT (0.53) HTTPKMMAPTNPC1RAB9A
SCHEMBL29130767 0.84 MAPT (0.58) HTTPKMMAPTNPC1RAB9A
SCHEMBL2831541 0.84 MAPT (0.53) HTTPKMMAPTNPC1RAB9A
SCHEMBL30369831 0.84 MAPT (0.53) HTTPKMMAPTNPC1RAB9A
SCHEMBL29053787 0.84 GAA (0.56) HTTPKMMAPTNPC1RAB9A
SCHEMBL28144428 0.84 HTT (0.52) HTTPKMMAPTNPC1RAB9A
SCHEMBL15856251 0.83 HTT (0.59) HTTPKMMAPTNPC1RAB9A
SCHEMBL13623296 0.83 HTT (0.55) HTTPKMMAPTNPC1RAB9A

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 13 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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
CN-101784516-A Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2010-07-21 CN disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK HTT 2476/4885PKM 1176/4885MAPT 3239/4885
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA HTT 4875/4885PKM 4117/4885MAPT 4093/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 HTT 3163/4885PKM 792/4885MAPT 406/4885

“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.