SCHEMBL173315

SCHEMBL173315

Cc1cccc(F)c1Nc1c(-c2ccc(F)cc2Cl)c(C)nn1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
SLC34A1 Q06495 4/20 0.37
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LCK P06239 1/20 0.35
IGF1R P08069 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RX7 Q99572 2/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL168600 0.94 HSD11B1 (0.42) HSD11B1SLC34A1MAPTTP53SMN1; SMN2
SCHEMBL29367611 0.94 HSD11B1 (0.42) HSD11B1SLC34A1MAPTIGF1RP2RX7
SCHEMBL175783 0.94 HSD11B1 (0.42) HSD11B1SLC34A1MAPTIGF1RP2RX7
SCHEMBL170786 0.92 HSD11B1 (0.43) HSD11B1SLC34A1MAPTLCKIGF1R
SCHEMBL29369400 0.92 HSD11B1 (0.43) HSD11B1SLC34A1MAPTLCKIGF1R
SCHEMBL173926 0.92 HSD11B1 (0.43) HSD11B1SLC34A1LCKIGF1RTDP1
SCHEMBL175938 0.90 SLC34A1 (0.38) SLC34A1MAPTTP53SMN1; SMN2P2RX7
SCHEMBL173254 0.89 HSD11B1 (0.39) HSD11B1SLC34A1IGF1RP2RX7
SCHEMBL20697909 0.89 HSD11B1 (0.39) HSD11B1SLC34A1MAPTIGF1RP2RX7
SCHEMBL29368758 0.89 HSD11B1 (0.39) HSD11B1SLC34A1IGF1RP2RX7

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 HSD11B1 1540/4885SLC34A1 1917/4885MAPT 3296/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSD11B1 1540/4885SLC34A1 1917/4885MAPT 3296/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSD11B1 1540/4885SLC34A1 1917/4885MAPT 3296/4885

“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.