SCHEMBL3391247

SCHEMBL3391247

CC(=O)c1cc[c]c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2A6 P11509 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA5A P35218 1/20 0.37
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
PRKCI P41743 1/20 0.35

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
SCHEMBL142939 0.81 TSHR (0.40) ALDH1A1MAPK1GAAMAPTRAB9A
SCHEMBL425996 0.79 PARP1 (0.48) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL422919 0.79 CA1 (0.47) ALDH1A1SMN1; SMN2MAPK1GAANPC1
SCHEMBL426458 0.79 HDAC6 (0.46) SMN1; SMN2GAAHPGD
SCHEMBL425921 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL6152607 0.77 MAPT (0.39) ALDH1A1SMN1; SMN2MAPK1NPC1MAPT
SCHEMBL4064595 0.77 CYP2A6 (0.42) ALDH1A1SMN1; SMN2MAPK1NPC1MAPT
SCHEMBL561510 0.75 NPC1 (0.38) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL6975368 0.75 TDP1 (0.41) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2920883 0.75 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2MAPK1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010514-B1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2010-12-29 EP disclosed
CN-101528730-A Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK & CO INC (US) 2009-09-09 CN disclosed
CN-101460479-A 3-(pyridin-2-yl)-[1,2,4]-triazines for use as fungicides BASF SE (DE) 2009-06-17 CN disclosed
CN-101460475-A 2- (pyridin-2-yl) -pyrimidines as fungicides BASF SE (DE) 2009-06-17 CN disclosed
US-20090111692-A1 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-04-30 US disclosed
US-20090105072-A1 2-(Pyridin-2-Yl)-Pyrimidines for Use as Fungicides BASF SE (DE) 2009-04-23 US disclosed
EP-2010515-A1 2-(PYRIDIN-2-YL)-PYRIMIDINES FOR USE AS FUNGICIDES BASF SE (DE) 2009-01-07 EP disclosed
EP-2010514-A1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2009-01-07 EP disclosed
WO-2007116079-A1 2-(PYRIDIN-2-YL)-PYRIMIDINES FOR USE AS FUNGICIDES BASF SE (DE) 2007-10-18 WO disclosed
WO-2007116078-A1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2007-10-18 WO disclosed
US-20060063820-A1 2,6-dihalo-4-(3,3-dichloro-allyloxy)-benzylalcohole derivatives having insecticidal and acaricidal properties SYNGENTA CROP PROTECTION, INC. 2006-03-23 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 (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-20090111692-A1 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides CBR3, CBR1, TH ALDH1A1 562/4885SMN1; SMN2 4404/4885MAPK1 2424/4885
US-20060063820-A1 2,6-dihalo-4-(3,3-dichloro-allyloxy)-benzylalcohole derivatives having insecticidal and acaricidal properties DDT, RER1, F7 ALDH1A1 1735/4885SMN1; SMN2 731/4885MAPK1 1461/4885
US-20090105072-A1 2-(Pyridin-2-Yl)-Pyrimidines for Use as Fungicides CBR3, CBR1, CNPY2 ALDH1A1 1539/4885SMN1; SMN2 4310/4885MAPK1 3777/4885

“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.