SCHEMBL174777

SCHEMBL174777

Cc1nn(C)c(-c2c(F)cccc2F)c1Sc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.37
VDR P11473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL3851796 0.73 RXFP1 (0.37) TP53LMNAALDH1A1MAPTGAA
SCHEMBL9479805 0.73 TP53 (0.52) TP53LMNAMAPK1TSHRALDH1A1
SCHEMBL9195078 0.73 LMNA (0.50) TP53LMNAMAPK1TSHRALDH1A1
SCHEMBL175149 0.72 MAPT (0.38) LMNAMAPK1TSHRMAPTSMN1; SMN2
SCHEMBL14990151 0.70 MAPK14 (0.37) ALDH1A1
SCHEMBL3844244 0.70 PDE2A (0.36) TP53LMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9192786 0.69 LMNA (0.43) TP53LMNAMAPK1TSHRALDH1A1
SCHEMBL1075576 0.69 MAPT (0.34) LMNAALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL9571823 0.68 TP53 (0.42) TP53LMNAMAPK1TSHRALDH1A1
SCHEMBL9201115 0.68 TP53 (0.42) TP53LMNAMAPK1TSHRALDH1A1

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 TP53 2285/4885LMNA 4265/4885MAPK1 939/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 TP53 2285/4885LMNA 4265/4885MAPK1 939/4885

“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.