SCHEMBL2884329

SCHEMBL2884329

Cc1cc(Sc2nc(C(F)(F)F)nn2C)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.36
MITF O75030 1/20 0.36
MEN1 O00255 1/20 0.36
GCK P35557 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2884277 0.79 GCK (0.41) ALDH1A1CYP3A4KMT2AMEN1GCK
SCHEMBL1832155 0.74 MAPT (0.35) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL2888027 0.74 KMT2A (0.43) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL28622224 0.73 MAPT (0.55) ALDH1A1SMN1; SMN2CYP3A4KMT2AMEN1
SCHEMBL1836227 0.71 NPC1 (0.40) ALDH1A1SMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL1834390 0.70 HPGD (0.37) ALDH1A1SMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL2161589 0.70 HPGD (0.45) ALDH1A1SMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL29712919 0.69 IDO1 (0.49) ALDH1A1LMNACYP3A4KMT2AMEN1
SCHEMBL1833479 0.68 POLB (0.34) ALDH1A1LMNACYP3A4KMT2AMEN1
SCHEMBL2888083 0.68 NPC1 (0.44) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
EP-1727804-B1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-04 EP disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 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 (2 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-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 ALDH1A1 1137/4885SMN1; SMN2 1140/4885LMNA 1336/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT ALDH1A1 2697/4885SMN1; SMN2 840/4885LMNA 1631/4885

“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.