SCHEMBL6449862

SCHEMBL6449862

Cc1ccccc1C(=O)NNC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.62
LMNA P02545 2/20 0.62
ALDH1A1 P00352 3/20 0.58
ALOX12 P18054 1/20 0.58
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 1/20 0.49
PTGS1 P23219 1/20 0.48

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
SCHEMBL9830646 0.89 GAA (0.75) GAALMNAPOLBRAB9ASMN1; SMN2
SCHEMBL9830149 0.84 GAA (0.55) GAALMNAALDH1A1ALOX12POLB
SCHEMBL2650229 0.84 POLB (0.72) GAAALDH1A1POLBL3MBTL1NPC1
SCHEMBL6452299 0.83 L3MBTL1 (0.51) GAALMNAALDH1A1ALOX12POLB
SCHEMBL6454315 0.81 KAT6A (0.65) GAALMNAALDH1A1NPC1RAB9A
SCHEMBL6450629 0.81 GAA (0.64) GAALMNAALDH1A1L3MBTL1NPC1
SCHEMBL21311188 0.81 HTT (0.62) GAALMNAALDH1A1ALOX12POLB
SCHEMBL9831440 0.80 POLB (0.70) GAALMNAALDH1A1POLBL3MBTL1
SCHEMBL6449064 0.80 NPC1 (0.66) GAALMNAPOLBL3MBTL1NPC1
SCHEMBL30745167 0.79 GAA (0.70) GAALMNASMN1; SMN2RECQLKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
EP-0185256-B1 TRIAZOLE DERIVATES, THEIR PREPARATION AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1991-01-30 EP disclosed
US-4788210-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
EP-0185256-A2 Triazole derivates, their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1986-06-25 EP 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC GAA 519/4885LMNA 2406/4885ALDH1A1 287/4885

“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.