SCHEMBL4420346

SCHEMBL4420346

CCOC(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
KDM4E B2RXH2 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
GAA P10253 2/20 0.56
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 2/20 0.54
RORC P51449 4/20 0.53
POLB P06746 3/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL25776543 0.88 KDM4E (0.53) SMN1; SMN2KDM4ENPSR1CYP4F2CYP4A11
SCHEMBL8490992 0.88 TDP1 (0.70) SMN1; SMN2KDM4ENPSR1GAATDP1
SCHEMBL7723906 0.86 SMN1; SMN2 (0.68) SMN1; SMN2TDP1ALDH1A1MAPTMEN1
SCHEMBL550516 0.85 SMN1; SMN2 (0.63) SMN1; SMN2GAATDP1ALDH1A1MAPT
SCHEMBL9587613 0.85 KDM4E (0.52) SMN1; SMN2KDM4ENPSR1GAATDP1
SCHEMBL5539008 0.84 KDM4E (0.57) SMN1; SMN2KDM4ENPSR1GAATDP1
SCHEMBL3299225 0.84 CA12 (0.62) SMN1; SMN2NPSR1ALDH1A1MAPTMEN1
SCHEMBL14114749 0.84 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ENPSR1GAAALDH1A1
SCHEMBL7665374 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPSR1TDP1ALDH1A1LMNA
SCHEMBL2616927 0.84 SMN1; SMN2 (0.61) SMN1; SMN2TDP1ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524129-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYL ACETONITRILE COMPOUND AND USE THEREOF Maxunitech Inc. (CN) 2025-03-19 EP disclosed
US-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF MAXUNITECH INC (CN) 2025-02-20 US disclosed
CN-117069614-A Preparation method and application of 2-substituted aryl acetonitrile compound 合力科技股份有限公司 2023-11-17 CN disclosed
WO-2023216063-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYL ACETONITRILE COMPOUND AND USE THEREOF 合力科技股份有限公司 2023-11-16 WO disclosed
US-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity VIROSTATICS SRL (IT) 2019-05-21 US disclosed
CN-104822380-B The novel disubstituted aminopyridine derivative of 4,6- 维罗斯塔蒂克斯公司 2019-01-01 CN disclosed
EP-2887943-B1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2017-12-06 EP disclosed
EP-2887943-B1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2017-12-06 EP disclosed
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY VIROSTATICS SRL (IT) 2017-07-20 US disclosed
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY VIROSTATICS SRL (IT) 2017-07-20 US disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
US-6620827-B2 Peroxisome proliferator-activated receptors-gamma to control lipid metabolism ane obesity; antidiabetic, -inflammatory and -arthritic agents; non-insulin dependent diabetes; antilipemic and -cholesterol agents TULARIK INC. 2003-09-16 US disclosed
US-20030088103-A1 PPARgamma modulators TULARIK INC. (US) 2003-05-08 US disclosed
US-20010027200-A1 PPARgamma modulators TULARIK INC. 2001-10-04 US disclosed
US-6200995-B1 PYRIDYLOXYBENZENESULFONAMIDE DERIVATIVES; DIABETES, OBESITY TULARIK INC. 2001-03-13 US disclosed
EP-1053227-A1 PPAR-GAMMA MODULATORS TULARIK, INC. (US) 2000-11-22 EP disclosed
WO-1999038845-A1 PPAR-GAMMA MODULATORS TULARIK INC. (US) 1999-08-05 WO disclosed
US-5118680-A COMBATING ENDOPARASITES WITH 3-HYDROXYBENZOTHIOPHENES BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 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 (6 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-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity DUT, UMPS, DPYD SMN1; SMN2 4007/4885KDM4E 259/4885NPSR1 4591/4885
US-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 SMN1; SMN2 1268/4885KDM4E 2701/4885NPSR1 195/4885
US-20030088103-A1 PPARgamma modulators PPARG, PPARA, PPARD SMN1; SMN2 3973/4885KDM4E 4173/4885NPSR1 2934/4885
US-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF CYP1B1, CYP1A2, CYP2C9 SMN1; SMN2 2364/4885KDM4E 1649/4885NPSR1 3465/4885
US-20010027200-A1 PPARgamma modulators PPARG, PPARA, PPARD SMN1; SMN2 3973/4885KDM4E 4173/4885NPSR1 2934/4885
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY UMPS, DPYD, DUT SMN1; SMN2 4318/4885KDM4E 272/4885NPSR1 4665/4885

“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.