SCHEMBL2888002

SCHEMBL2888002

Cc1cc(-c2noc(C(F)(F)F)n2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 15/20 0.50
HDAC6 Q9UBN7 11/20 0.50
HDAC1 Q13547 4/20 0.46
CYP3A4 P08684 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
NR1I2 O75469 1/20 0.46
CYP2D6 P10635 1/20 0.46
S1PR1 P21453 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL19864362 0.88 HDAC4 (0.50) HDAC4HDAC6HDAC1HDAC8S1PR1
Hydrochloric Acid SCHEMBL19859065 0.87 HDAC4 (0.49) HDAC4HDAC6HDAC1HDAC8S1PR1
SCHEMBL19801733 0.84 HDAC6 (0.55) HDAC4HDAC6HDAC1HDAC8
SCHEMBL24254417 0.82 HDAC6 (0.50) HDAC4HDAC6HDAC1HDAC8S1PR1
SCHEMBL19042602 0.82 HDAC4 (0.53) HDAC4HDAC6HDAC8
SCHEMBL28905902 0.82 NPSR1 (0.51) HDAC4HDAC6HDAC1CYP3A4HDAC8
SCHEMBL20528695 0.81 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8
SCHEMBL20680863 0.80 HDAC4 (0.51) HDAC4HDAC6HDAC1HDAC8
SCHEMBL20680769 0.80 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29997666 0.80 HDAC4 (0.51) HDAC4HDAC6HDAC1HDAC8

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-20180343864-A1 Substituted Oxadiazoles for Combating Phytopathogenic Fungi BASF SE (DE) 2018-12-06 US disclosed
EP-3373735-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-09-19 EP disclosed
WO-2018015458-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-25 WO disclosed
WO-2017081309-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-18 WO 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-20180343864-A1 Substituted Oxadiazoles for Combating Phytopathogenic Fungi CYP51A1, OSR1, FOXO3 HDAC4 2557/4885HDAC6 509/4885HDAC1 1349/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 HDAC4 1737/4885HDAC6 354/4885HDAC1 413/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT HDAC4 2841/4885HDAC6 1906/4885HDAC1 893/4885

“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.