SCHEMBL3214818

SCHEMBL3214818

CCOC(=O)c1ccc(C(F)(F)F)c(Br)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
HDAC4 P56524 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 4/20 0.41
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5437481 0.85 CYP1A2 (0.56) CYP1A2HDAC4HDAC6HDAC3HDAC1
SCHEMBL3214847 0.84 CYP1A2 (0.54) CYP1A2HDAC4HDAC6HDAC3HDAC1
SCHEMBL29378647 0.83 NOTUM (0.53) CYP1A2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL16224717 0.83 NOTUM (0.53) CYP1A2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL5437263 0.83 CYP1A2 (0.50) CYP1A2HDAC4HDAC6HDAC3HDAC1
SCHEMBL5432959 0.82 CYP1A2 (0.53) CYP1A2HDAC4HDAC6HDAC3HDAC1
SCHEMBL2415294 0.81 CYP1A2 (0.51) CYP1A2HDAC4HDAC6HDAC3HDAC1
SCHEMBL19584461 0.80 CYP1A2 (0.57) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5437280 0.80 CYP1A2 (0.50) CYP1A2HDAC4HDAC6HDAC3HDAC1
SCHEMBL18096040 0.80 CYP1A2 (0.61) CYP1A2ALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035756-A1 TRIAZOLOPHYRIDINE DERIVATIVES AS HERBICIDES SYNGENTA LIMITED (GB) 2010-02-11 US disclosed
EP-2046788-A1 TRIAZOLOPYRIDINE DERIVATIVES AS HERBICIDES Syngeta Participations AG (CH) 2009-04-15 EP disclosed
WO-2008006540-A1 TRIAZOLOPYRIDINE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-17 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-20100035756-A1 TRIAZOLOPHYRIDINE DERIVATIVES AS HERBICIDES DDT, CYP1A1, NAT1 CYP1A2 8/4885HDAC4 851/4885HDAC6 1103/4885

“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.