SCHEMBL175149

SCHEMBL175149

Cc1nn(C)c(-c2c(F)cccc2F)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

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
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NMT1 P30419 1/20 0.35
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PLAU P00749 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
CDK8 P49336 1/20 0.31
ACVR1 Q04771 1/20 0.31
NPC1 O15118 1/20 0.31
BRD4 O60885 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4D Q08499 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
SCHEMBL3488421 0.81 MBNL1 (0.41) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL1075576 0.79 MAPT (0.34) MAPTSMN1; SMN2L3MBTL1LMNAPDE2A
SCHEMBL17023419 0.79 NPC1 (0.47) MAPTSMN1; SMN2KDM4EHTTL3MBTL1
SCHEMBL15952575 0.77 MAPT (0.39) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL3488733 0.76 KDM4C (0.38) MAPTSMN1; SMN2KDM4EL3MBTL1LMNA
SCHEMBL3489083 0.74 SLC34A1 (0.45) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL3488391 0.73 GRM5 (0.42) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL1074098 0.73 PGR (0.41) MAPTKDM4ECDK8ACVR1BRD4
SCHEMBL4158211 0.73 MAPT (0.49) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL15639816 0.73 BRD4 (0.45) MAPTSMN1; SMN2LMNANMT1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012030922-A1 FUNGICIDAL PYRAZOLES 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 (2 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 MAPT 3611/4885SMN1; SMN2 3224/4885KDM4E 1961/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 MAPT 3611/4885SMN1; SMN2 3224/4885KDM4E 1961/4885

“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.