SCHEMBL18397965

SCHEMBL18397965

O=C(NN1CCCC1)c1ncccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 1/20 0.43
HSD11B1 P28845 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPV1 Q8NER1 3/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
PTPN11 Q06124 1/20 0.40
CNR1 P21554 1/20 0.40
EPHX2 P34913 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL15328340 0.77 LMNA (0.58) HTTGAAHCRTR1MEN1KMT2A
SCHEMBL7047527 0.76 P2RX7 (0.47) GAAHCRTR1HCRTR2TRPV1CTNNB1
SCHEMBL25236469 0.76 LMNA (0.51) GAAHCRTR1HCRTR2MEN1KMT2A
SCHEMBL15328476 0.75 LMNA (0.58) HTTGAAHCRTR1MEN1KMT2A
SCHEMBL5709026 0.72 TRPV1 (0.60) GAAMEN1KMT2ATRPV1
SCHEMBL18397975 0.72 POLB (0.52) HTTGAACNR1
SCHEMBL20069793 0.72 RET (0.46) GAAHCRTR1HCRTR2PTPN11
SCHEMBL5325529 0.72 CTNNB1 (0.46) GAAHCRTR1HCRTR2HSD11B1TRPV1
SCHEMBL286833 0.72 KDM4E (0.55) HCRTR1HCRTR2HSD11B1TRPV1CTNNB1
SCHEMBL24018160 0.71 HCRTR1 (0.45) GAAHCRTR1HCRTR2TRPV1CTNNB1

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 HTT 617/4885GAA 459/4885HCRTR1 2080/4885

“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.