SCHEMBL175211

SCHEMBL175211

Cc1cc(-c2c(F)cccc2F)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
HDAC9 Q9UKV0 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
KIF11 P52732 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE5A O76074 1/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
F2RL3 Q96RI0 2/20 0.34
KCNH2 Q12809 2/20 0.33
CTSA P10619 1/20 0.33

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
SCHEMBL3491456 0.81 HSD11B1 (0.42) PDE4BHDAC9MAPTKDM4EHTT
SCHEMBL16514284 0.80 NMT1 (0.35) HDAC9MAPTKDM4EHTTKCNH2
SCHEMBL680128 0.80 HSD11B1 (0.41) PDE4BKDM4EHTTKIF11NPC1
SCHEMBL27564983 0.78 HSD11B1 (0.39) KDM4EHTTNPC1RAB9AALDH1A1
SCHEMBL174784 0.77 F2RL3 (0.40) PDE4BPDE4DNPC1RAB9ASTIM1
SCHEMBL27695252 0.76 HDAC9 (0.37) PDE4BPDE4DHDAC9KDM4EHTT
SCHEMBL174226 0.76 AR (0.38) PDE4BPDE4DHTTALDH1A1F2RL3
SCHEMBL15862756 0.75 KMT2A (0.43) MAPTKDM4EHTTALDH1A1
SCHEMBL16487535 0.75 SMN1; SMN2 (0.42) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL1459158 0.73 TLR9 (0.36) HDAC9MAPTKDM4EPDE5ASTIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105130900-B Antifungal pyrazoles 纳幕尔杜邦公司 2018-05-22 CN disclosed
CN-103079406-B fungicidal pyrazoles E. I. DU PONT DE NEMOURS AND CO. (US) 2016-03-30 CN disclosed
CN-105130900-A Fungicidal pyrazoles DU PONT 2015-12-09 CN disclosed
US-9131693-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-15 US disclosed
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP disclosed
US-20140221448-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US disclosed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
CN-103079406-A Fungicidal pyrazoles DU PONT 2013-05-01 CN disclosed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO disclosed
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US disclosed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 EP disclosed
WO-2009137538-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO disclosed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 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-20140221448-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 PDE4B 781/4885PDE4D 1213/4885HDAC9 2089/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 PDE4B 781/4885PDE4D 1213/4885HDAC9 2089/4885
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES CBR3, NOX3, CBR1 PDE4B 784/4885PDE4D 1386/4885HDAC9 2291/4885

“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.