SCHEMBL2887954

SCHEMBL2887954

Cc1cc(-c2ncc(C(F)(F)F)o2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MAPT P10636 6/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
NOTUM Q6P988 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2892034 0.78 MAPT (0.38) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11293963 0.74 MAPT (0.60) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL1830727 0.73 NPC1 (0.55) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5178736 0.73 MEN1 (0.50) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL1835286 0.71 NPC1 (0.59) RAB9ANPC1MAPTHTT
SCHEMBL3778792 0.71 MAPK1 (0.55) MAPTTSHRHPGDALDH1A1LMNA
SCHEMBL30822033 0.71 MAPK1 (0.55) MAPTTSHRHPGDALDH1A1LMNA
SCHEMBL31375579 0.71 NPC1 (0.53) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL20660743 0.70 NPC1 (0.41) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL20660414 0.69 CYP1A2 (0.41) MEN1KMT2ARAB9ANPC1MAPT

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 5 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
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 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 (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 MEN1 1134/4885KMT2A 765/4885RAB9A 1199/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT MEN1 823/4885KMT2A 302/4885RAB9A 1055/4885

“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.