SCHEMBL4166964

SCHEMBL4166964

C=C(F)COc1cc(C(F)(F)F)nn1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 1/20 0.49
TGFBR1 P36897 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PKM P14618 1/20 0.38
GPR119 Q8TDV5 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL13603778 0.87 ALDH1A1 (0.53) ALDH1A1KMT2ATGFBR1ADORA2AADORA1
SCHEMBL20797272 0.83 ALDH1A1 (0.65) ALDH1A1KMT2ATGFBR1ADORA2AADORA1
SCHEMBL4753817 0.80 ALDH1A1 (0.54) ALDH1A1KMT2ATGFBR1ADORA2AADORA1
SCHEMBL20457202 0.80 KMT2A (0.54) ALDH1A1KMT2ATGFBR1ADORA2AADORA1
SCHEMBL5198293 0.80 KMT2A (0.54) ALDH1A1KMT2ATGFBR1ADORA2AADORA1
SCHEMBL22393320 0.79 ALDH1A1 (0.60) ALDH1A1KMT2APKMGPR119KDM4E
SCHEMBL4977409 0.78 KMT2A (0.49) ALDH1A1KMT2ATGFBR1ADORA2AADORA1
SCHEMBL26750160 0.78 KMT2A (0.51) ALDH1A1KMT2ATGFBR1ADORA2AADORA1
SCHEMBL30363332 0.76 KMT2A (0.50) ALDH1A1KMT2ATGFBR1ADORA2AADORA1
SCHEMBL4737609 0.76 KMT2A (0.50) ALDH1A1KMT2ATGFBR1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
EP-1885720-A2 4-(THIAZOL-2-YLTHIOALKYL)-PYRAZOLES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2008-02-13 EP disclosed
WO-2006123088-A2 4- (THIAZOL-2-YLTHIOALKYL) -PYRAZOLES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-11-23 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 (1 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-20090048112-A1 Novel Herbicides HAX1, MTX1, CYP4X1 ALDH1A1 312/4885KMT2A 135/4885TGFBR1 794/4885

“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.