SCHEMBL3988487

SCHEMBL3988487

COC(=O)c1ccc([N+](=O)[O-])c(OC(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.54
PELP1 Q8IZL8 1/20 0.54
VCAM1 P19320 1/20 0.52
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
LMNA P02545 1/20 0.44
ERN1 O75460 1/20 0.43
MEN1 O00255 1/20 0.43
CASP6 P55212 1/20 0.43

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
SCHEMBL31003842 1.00 AR (0.54) ARPELP1VCAM1HPGDALDH1A1
SCHEMBL27172514 0.89 ALDH1A1 (0.57) VCAM1HPGDALDH1A1NPSR1MAPT
SCHEMBL1560385 0.87 AR (0.58) ARPELP1VCAM1HPGDALDH1A1
SCHEMBL30871535 0.85 MYC (0.46) ARPELP1HPGDALDH1A1KMT2A
SCHEMBL16974724 0.84 CASP6 (0.63) LMNACASP6
SCHEMBL31003858 0.84 CASP6 (0.63) LMNACASP6
SCHEMBL310574 0.84 VCAM1 (0.58) ARPELP1VCAM1HPGDALDH1A1
SCHEMBL30740968 0.82 TTR (0.49) ARPELP1VCAM1HPGDALDH1A1
SCHEMBL5734347 0.82 VCAM1 (0.68) VCAM1HPGDALDH1A1NPSR1MAPT
SCHEMBL18940575 0.81 VCAM1 (0.44) ARPELP1VCAM1HPGDALDH1A1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-11572367-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2023-02-07 US disclosed
EP-3649127-B1 SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-08 EP disclosed
CN-113121393-A Aromatic amide compound and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 CN disclosed
WO-2021136326-A1 ARYL AMIDE COMPOUND AND APPLICATION THEREOF IN MEDICINE 广东东阳光药业有限公司 2021-07-08 WO disclosed
EP-3099694-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-16 EP disclosed
WO-2019008011-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-10 WO disclosed
EP-3075730-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2018-10-24 EP disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 US disclosed
WO-2011151360-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 WO disclosed
WO-2011151360-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 WO disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 WO disclosed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 AR 3337/4885PELP1 2189/4885VCAM1 3287/4885
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK AR 2943/4885PELP1 2535/4885VCAM1 4373/4885
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS LRRK2, PARK7, PKN2 AR 2889/4885PELP1 1639/4885VCAM1 4151/4885
US-11572367-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 AR 4719/4885PELP1 1690/4885VCAM1 4352/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 AR 4719/4885PELP1 1690/4885VCAM1 4352/4885

“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.