SCHEMBL18397969

SCHEMBL18397969

COC1CCN(NC(=O)c2ccccc2C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
RBP4 P02753 1/20 0.41
HCRTR1 O43613 2/20 0.40
TP53 P04637 2/20 0.40
PTGS1 P23219 1/20 0.40
MGLL Q99685 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
RECQL P46063 1/20 0.40
PTGES O14684 1/20 0.39
CCR8 P51685 1/20 0.39
PPIA P62937 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL18397973 0.90 LMNA (0.50) LMNAGAACNR1CNR2DPP4
SCHEMBL15328340 0.76 LMNA (0.58) LMNAGAAHCRTR1TP53PTGS1
SCHEMBL18397964 0.76 GAA (0.60) LMNAGAATP53CYP2C9CYP2C19
SCHEMBL15328476 0.75 LMNA (0.58) LMNAGAACNR1CNR2HCRTR1
SCHEMBL20722691 0.68 ACACB (0.33)
SCHEMBL29860179 0.68 TP53 (0.56) LMNAGAADPP4DPP7HCRTR1
SCHEMBL30681561 0.68 LMNA (0.62) LMNAGAADPP4DPP7HCRTR1
SCHEMBL1819622 0.68 LMNA (0.62) LMNAGAADPP4DPP7HCRTR1
SCHEMBL10212118 0.68 DPP4 (0.52) DPP4DPP7TP53PTGES
SCHEMBL45490 0.67 LMNA (0.59) LMNAGAARBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180206491-A1 SUBSTITUTED CYCLIC ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-26 US disclosed
EP-3325466-A1 SUBSTITUTED CYCLIC ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-30 EP disclosed
WO-2017012922-A1 SUBSTITUTED CYCLIC ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-26 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 (1 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-20180206491-A1 SUBSTITUTED CYCLIC ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS CBR3, PAH, HPD LMNA 4807/4885GAA 459/4885CNR1 499/4885

“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.