SCHEMBL3586289

SCHEMBL3586289

CNN(Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.48
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
RORC P51449 3/20 0.42
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
PLOD1 Q02809 1/20 0.42
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL3576345 0.86 MLYCD (0.44) MLYCDHIF1AEPAS1RORCPLOD2
SCHEMBL3576772 0.86 MLYCD (0.48) MLYCDRORCALDH1A1LMNA
SCHEMBL3582622 0.82 MLYCD (0.48) MLYCDGAATSHRHIF1AEPAS1
SCHEMBL3576443 0.76 MLYCD (0.48) MLYCDRORCALDH1A1LMNA
SCHEMBL3583289 0.75 MEN1 (0.55) MLYCDRAB9ANPC1ALDH1A1LMNA
SCHEMBL3572770 0.75 TSHR (0.66) GAATSHRHTTRAB9ASMN1; SMN2
SCHEMBL3580601 0.73 MLYCD (0.45) MLYCDALDH1A1LMNA
SCHEMBL3572597 0.71 CTSS (0.46) MLYCDGAAALDH1A1LMNACYP1A2
SCHEMBL12120404 0.69 NAPRT (0.56) GAATSHRALDH1A1LMNACYP1A2
SCHEMBL25203473 0.68 RAB9A (0.50) MLYCDGAATSHRHIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC MLYCD 1946/4885GAA 450/4885TSHR 3187/4885

“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.