SCHEMBL3222728

SCHEMBL3222728

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1ccc(N(C)C)c(NC(=O)c2ccc(C#N)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.41
MLYCD O95822 3/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
MAPK14 Q16539 2/20 0.38
MAPK11 Q15759 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP19A1 P11511 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35

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
SCHEMBL13456091 0.87 RXFP1 (0.43) RXFP1MLYCDPOLBALDH1A1PKM
SCHEMBL3212633 0.79 MLYCD (0.49) RXFP1MLYCDALDH1A1PKMMAPT
SCHEMBL29409944 0.79 RXFP1 (0.54) RXFP1MLYCDKMT2AMEN1NR1H4
SCHEMBL1275272 0.79 MLYCD (0.45) RXFP1MLYCDPOLBALDH1A1PKM
SCHEMBL3210438 0.79 MAPT (0.49) POLBALDH1A1PKMMAPK14MAPT
SCHEMBL3224751 0.77 PKM (0.38) ALDH1A1PKMMAPK14LMNAKMT2A
SCHEMBL3227043 0.76 MLYCD (0.48) RXFP1MLYCDPOLBALDH1A1PKM
SCHEMBL13424932 0.75 HDAC1 (0.36) RXFP1ALDH1A1PKMMAPK14LMNA
SCHEMBL3211594 0.75 HCAR3 (0.52) POLBALDH1A1PKMMAPTLMNA
SCHEMBL289051 0.75 RXFP1 (0.39) RXFP1MLYCDKMT2AMEN1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS, INC. 2014-11-13 US disclosed
US-20130184343-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-07-18 US disclosed
US-20130184343-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-07-18 US disclosed
WO-2013092942-A1 USE OF AMINOBENZAMIDE DERIVATIVES FOR CONTROLLING ANIMAL PARASITES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
US-8420855-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-16 US disclosed
US-8420855-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-16 US disclosed
US-20100048715-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
US-20100048715-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
WO-2008000438-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-01-03 WO 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 (3 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-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 RXFP1 1804/4885MLYCD 813/4885POLB 2534/4885
US-20100048715-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 RXFP1 1992/4885MLYCD 3539/4885POLB 4520/4885
US-20130184343-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 RXFP1 2047/4885MLYCD 3515/4885POLB 4511/4885

“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.