SCHEMBL18397973

SCHEMBL18397973

COC1CN(NC(=O)c2ccccc2C(F)(F)F)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
PTGES O14684 1/20 0.43
TP53 P04637 2/20 0.43
RECQL P46063 1/20 0.43
PPIA P62937 1/20 0.41
RBP4 P02753 1/20 0.41
HCRTR1 O43613 1/20 0.41
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
PTGS1 P23219 1/20 0.40
DPP4 P27487 2/20 0.40
DPP7 Q9UHL4 2/20 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
SCHEMBL18397969 0.90 LMNA (0.46) LMNAGAACNR1CNR2PTGES
SCHEMBL15328340 0.77 LMNA (0.58) LMNAGAATP53RECQLPPIA
SCHEMBL18397964 0.77 GAA (0.60) LMNAGAATP53RECQL
SCHEMBL15328476 0.76 LMNA (0.58) LMNAGAACNR1CNR2TP53
SCHEMBL29860179 0.71 TP53 (0.56) LMNAGAAPTGESTP53RECQL
SCHEMBL30745167 0.70 GAA (0.70) LMNAGAARECQLPPIAKCNK3
SCHEMBL1267035 0.70 GAA (0.70) LMNAGAARECQLPPIAKCNK3
SCHEMBL27968346 0.70 GAA (0.70) LMNAGAATP53RECQLPPIA
SCHEMBL45490 0.70 LMNA (0.59) LMNAGAARBP4
SCHEMBL9830646 0.69 GAA (0.75) LMNAGAARECQLPPIAKCNK3

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.