SCHEMBL3984497

SCHEMBL3984497

O=C(Nc1ccccc1)c1cscc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.54
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
PPARG P37231 1/20 0.49
PTGS1 P23219 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
XPO1 O14980 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
AVPR2 P30518 1/20 0.46

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
SCHEMBL5332281 0.80 KCNK3 (0.75) KCNK3KCNK9PTGS1ALDH1A1HPGD
SCHEMBL3910254 0.79 KCNK3 (0.52) KCNK3KCNK9PTGS1ALDH1A1NPC1
SCHEMBL15902456 0.78 DHODH (0.81) DHODHALDH1A1HPGDNPC1RAB9A
SCHEMBL9258673 0.76 DHODH (0.58) DHODHKCNK3KCNK9PPARGALDH1A1
SCHEMBL5551977 0.76 DHODH (0.58) DHODHPTGS1ALDH1A1HPGDNPC1
SCHEMBL7213018 0.75 KCNK3 (0.63) KCNK3KCNK9PTGS1ALDH1A1HPGD
SCHEMBL6385772 0.75 GAA (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL17122493 0.75 KCNK3 (0.52) KCNK3KCNK9PPARGPTGS1ALDH1A1
Hydrochloric Acid SCHEMBL5025183 0.74 DHODH (0.56) DHODHPTGS1ALDH1A1HPGDNPC1
SCHEMBL22720172 0.74 PTGS1 (0.66) KCNK3KCNK9PTGS1ALDH1A1HPGD

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-7501530-B2 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-03-10 US disclosed
US-7501530-B2 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-03-10 US disclosed
US-20060172891-A1 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides BASF AKTIENGESELLSCHAFT (DE) 2006-08-03 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-20060172891-A1 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides AS3MT, GABBR1, TH DHODH 1054/4885KCNK3 4281/4885KCNK9 4327/4885

“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.