SCHEMBL6760672

SCHEMBL6760672

CCn1nc(C(F)(F)F)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE4B Q07343 9/20 0.41
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE3A Q14432 2/20 0.37
MPO P05164 1/20 0.36

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
SCHEMBL21721700 0.84 KDM4E (0.36) TGFBR1L3MBTL1KDM4EALDH1A1
SCHEMBL27719767 0.81 MPO (0.40) L3MBTL1KDM4EALDH1A1PDE4BTP53
SCHEMBL29398775 0.80 TGFBR1 (0.47) TGFBR1L3MBTL1KDM4EALDH1A1TP53
SCHEMBL3276395 0.80 TGFBR1 (0.40) TGFBR1L3MBTL1KDM4EALDH1A1TP53
SCHEMBL15056138 0.79 TGFBR1 (0.39) TGFBR1L3MBTL1TP53LMNAPTGS1
Hydrochloric Acid SCHEMBL33526345 0.79 L3MBTL1 (0.40) TGFBR1L3MBTL1KDM4EALDH1A1PDE4B
SCHEMBL13169985 0.79 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1PDE4BTP53
SCHEMBL1460054 0.78 TGFBR1 (0.39) TGFBR1L3MBTL1KDM4EALDH1A1TP53
SCHEMBL8932284 0.77 TGFBR1 (0.41) TGFBR1L3MBTL1KDM4EALDH1A1PTGS1
SCHEMBL17066901 0.76 MPO (0.42) TGFBR1L3MBTL1KDM4EALDH1A1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183351-B2 Avermectin derivatives BAYER CROPSCIENCE AG (DE) 2012-05-22 US disclosed
US-8183351-B2 Avermectin derivatives BAYER CROPSCIENCE AG (DE) 2012-05-22 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
EP-0789698-B1 N-(1-ETHYL-4-PYRAZOLYL)TRIAZOLOAZINESULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 1999-07-07 EP disclosed
US-5763359-A N-(1-ethyl-4-pyrazolyl)triazoloazinesulfonamide herbicides DOW AGROSCIENCES LLC (US) 1998-06-09 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 (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-20100234312-A1 AVERMECTIN DERIVATIVES OXTR, C3AR1, CBR3 TGFBR1 442/4885L3MBTL1 64/4885KDM4E 1973/4885

“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.