SCHEMBL2892005

SCHEMBL2892005

Cc1cc(-n2nc(C(F)(F)F)cc2C)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.44
ORAI1 Q96D31 2/20 0.44
MAPT P10636 3/20 0.43
PTGS2 P35354 7/20 0.41
PTGS1 P23219 5/20 0.41
KDM4E B2RXH2 3/20 0.41
RAD52 P43351 1/20 0.41
PTGES O14684 2/20 0.41
TSHR P16473 2/20 0.40
PDPK1 O15530 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 1/20 0.40
CA12 O43570 1/20 0.40
PDE5A O76074 1/20 0.40
ABCB11 O95342 1/20 0.40
MT-CO2 P00403 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL1834334 0.87 KDM4E (0.51) STIM1ORAI1MAPTPTGS2PTGS1
SCHEMBL14887387 0.83 PTGS2 (0.57) STIM1ORAI1MAPTPTGS2PTGS1
Hydrochloric Acid SCHEMBL31566300 0.81 PTGS2 (0.56) STIM1ORAI1MAPTPTGS2PTGS1
SCHEMBL25184267 0.80 PTGS2 (0.54) STIM1ORAI1MAPTPTGS2PTGS1
SCHEMBL31566304 0.79 PTGS2 (0.53) PTGS2PTGS1PTGESTSHRPDPK1
SCHEMBL25466518 0.79 PTGS2 (0.56) STIM1ORAI1MAPTPTGS2PTGS1
SCHEMBL14226059 0.78 STIM1 (0.54) STIM1ORAI1MAPTPTGS2PTGS1
SCHEMBL18163944 0.78 PTGS2 (0.55) STIM1ORAI1MAPTPTGS2PTGS1
SCHEMBL29328864 0.78 PTGS2 (0.51) STIM1ORAI1MAPTPTGS2PTGS1
SCHEMBL2889812 0.77 KDM4E (0.42) STIM1ORAI1MAPTPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
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 (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-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 STIM1 2876/4885ORAI1 3747/4885MAPT 4020/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT STIM1 1404/4885ORAI1 2206/4885MAPT 3425/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 STIM1 1673/4885ORAI1 664/4885MAPT 4079/4885

“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.