SCHEMBL875421

SCHEMBL875421

CC(=O)c1cc(C)cc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.43
NOS2 P35228 2/20 0.43
NOS1 P29475 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
LCK P06239 1/20 0.40
CTSA P10619 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
GBA1 P04062 1/20 0.37

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
SCHEMBL5370102 0.88 SMN1; SMN2 (0.46) NOS2SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL24510078 0.83 SMN1; SMN2 (0.39) NOS3NOS2NOS1SMN1; SMN2ALDH1A1
SCHEMBL668136 0.82 ALOX15 (0.48) NOS3NOS2NOS1SMN1; SMN2ALDH1A1
SCHEMBL3112850 0.80 LMNA (0.48) NOS3NOS2NOS1HTTLCK
SCHEMBL9507755 0.80 ALOX15 (0.46) NOS3NOS2NOS1SMN1; SMN2ALDH1A1
SCHEMBL31494612 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HTTKDM4EHPGD
SCHEMBL30755869 0.78 SMN1; SMN2 (0.39) NOS2SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL24581892 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HTTKDM4EHPGD
SCHEMBL6550051 0.78 KMT2A (0.42) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL17440744 0.78 SMN1; SMN2 (0.39) NOS2SMN1; SMN2ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 EP disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
EP-2106214-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES Bayer CropScience Aktiengesellschaft (DE) 2009-10-07 EP disclosed
WO-2008074418-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2008-06-26 WO disclosed
WO-2008074418-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2008-06-26 WO disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-1045833-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER INC. (US) 2000-10-25 EP disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed
WO-1999035130-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-15 WO disclosed
WO-1994029300-A1 PYRAZOLE FUNGICIDES 3-SUBSTITUTED BY A HETEROCYCLIC RING RHONE POULENC AGROCHIMIE (FR) 1994-12-22 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 (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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 NOS3 59/4885NOS2 188/4885NOS1 181/4885
US-20100022559-A1 BISOXIMES AS FUNGICIDES DDT, FHIT, CYP4X1 NOS3 288/4885NOS2 213/4885NOS1 253/4885

“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.