SCHEMBL176248

SCHEMBL176248

Cc1cccc(F)c1Nc1c(-c2ccc(F)cc2Br)c(C)nn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GALR3 O60755 1/20 0.34
HTT P42858 1/20 0.34
SLC34A1 Q06495 4/20 0.33
OPRM1 P35372 1/20 0.32
NMT1 P30419 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
HPGD P15428 1/20 0.31
GRM5 P41594 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
MAPK14 Q16539 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL29367800 0.94 MAPT (0.36) MAPTSMN1; SMN2TP53KDM4EGALR3
SCHEMBL15155523 0.94 MAPT (0.36) MAPTSMN1; SMN2TP53KDM4EGALR3
SCHEMBL29367616 0.92 MAPT (0.35) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL175883 0.92 MAPT (0.35) MAPTSMN1; SMN2TP53KDM4EGALR3
SCHEMBL14956153 0.92 MAPT (0.35) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL175938 0.90 SLC34A1 (0.38) MAPTSMN1; SMN2TP53SLC34A1OPRM1
SCHEMBL29355021 0.89 HSD11B1 (0.36) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL171531 0.89 HSD11B1 (0.36) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL168636 0.89 LCK (0.40) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL173237 0.87 SLC34A1 (0.37) MAPTSMN1; SMN2TP53KDM4EGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US claimed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US claimed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US claimed
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US disclosed
US-9596853-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 US disclosed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US disclosed
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 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-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 MAPT 3296/4885SMN1; SMN2 2600/4885TP53 3397/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 MAPT 3296/4885SMN1; SMN2 2600/4885TP53 3397/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 MAPT 3296/4885SMN1; SMN2 2600/4885TP53 3397/4885

“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.