SCHEMBL170975

SCHEMBL170975

Cc1nn(C)c(Nc2c(F)cccc2Br)c1-c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GALR3 O60755 1/20 0.38
HTT P42858 1/20 0.38
NMT1 P30419 1/20 0.34
CXCR2 P25025 1/20 0.33
CDK8 P49336 1/20 0.31
ACVR1 Q04771 1/20 0.31
TP53 P04637 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GAA P10253 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
SCHEMBL170377 0.87 KMT2A (0.39) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL173648 0.85 NMT1 (0.41) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL16655862 0.85 BRD4 (0.34) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL29367616 0.84 MAPT (0.35) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL14956153 0.84 MAPT (0.35) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL170971 0.84 SLC34A1 (0.37) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL30582142 0.82 MAPT (0.35) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL29097531 0.81 HSD11B1 (0.42) CXCR2
SCHEMBL173254 0.81 HSD11B1 (0.39) CXCR2
SCHEMBL29368758 0.81 HSD11B1 (0.39) CXCR2

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 16 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
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 CN claimed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US claimed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US claimed
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP claimed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US claimed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO 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
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 CN disclosed
CN-106008299-A Intermediate for preparing fungicidal pyrazoles 杜邦公司 2016-10-12 CN 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 2600/4885KDM4E 2963/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 MAPT 3296/4885SMN1; SMN2 2600/4885KDM4E 2963/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 MAPT 3296/4885SMN1; SMN2 2600/4885KDM4E 2963/4885

“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.