SCHEMBL1835286

SCHEMBL1835286

Cc1cc(-c2noc(C(F)(F)F)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
HDAC4 P56524 17/20 0.50
HDAC6 Q9UBN7 12/20 0.50
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL1831956 0.78 NPC1 (0.57) NPC1RAB9AHDAC4HDAC6HDAC1
SCHEMBL30935725 0.77 NPC1 (0.52) NPC1RAB9AMAPT
SCHEMBL6490110 0.77 RAB9A (0.70) NPC1RAB9AMAPT
SCHEMBL2888002 0.77 HDAC4 (0.50) HDAC4HDAC6HDAC1HDAC8
SCHEMBL19042602 0.77 HDAC4 (0.53) HDAC4HDAC6HDAC8
SCHEMBL1836408 0.77 NPC1 (0.40) NPC1RAB9AHDAC4HDAC6HDAC1
SCHEMBL2226996 0.76 NPC1 (0.62) NPC1RAB9AHDAC4HDAC6HDAC1
SCHEMBL1831038 0.75 MAPT (0.48) NPC1RAB9AMAPT
SCHEMBL20528695 0.75 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8
SCHEMBL31304852 0.75 MAPT (0.52) NPC1RAB9AHDAC4HDAC6HDAC1

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-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-2017081309-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-18 WO disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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-20180343864-A1 Substituted Oxadiazoles for Combating Phytopathogenic Fungi CYP51A1, OSR1, FOXO3 NPC1 3455/4885RAB9A 4593/4885HDAC4 2557/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 NPC1 2992/4885RAB9A 405/4885HDAC4 620/4885

“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.