SCHEMBL3406478

SCHEMBL3406478

O=C(Nc1ccc(C(F)(F)F)cc1)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.41
FPR2 P25090 1/20 0.39
MCHR1 Q99705 5/20 0.34
CLK2 P49760 1/20 0.34
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
FFAR2 O15552 5/20 0.33

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
SCHEMBL3409022 0.90 MLYCD (0.35) MLYCD
SCHEMBL3405824 0.89 MLYCD (0.34) MLYCD
SCHEMBL3410531 0.88 HSD17B10 (0.37) MLYCDLDHALDHB
SCHEMBL3406656 0.88 MLYCD (0.43) MLYCDFPR2CLK2FFAR2
SCHEMBL3409502 0.87 MLYCD (0.35) MLYCD
SCHEMBL3402046 0.87 MLYCD (0.33) MLYCD
SCHEMBL3403716 0.86 MLYCD (0.32) MLYCD
SCHEMBL2861041 0.86 MLYCD (0.45) MLYCDFPR2
SCHEMBL3401944 0.86 MLYCD (0.41) MLYCDCLK2FFAR2
SCHEMBL3408237 0.83 FBP1 (0.32) MLYCD

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 MLYCD 4/4885FPR2 4093/4885MCHR1 858/4885

“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.