SCHEMBL175108

SCHEMBL175108

Cc1nn(C)cc1Oc1ccc(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
SLC6A4 P31645 2/20 0.45
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
HSD11B1 P28845 1/20 0.38
S1PR4 O95977 1/20 0.36
POLB P06746 1/20 0.36
BRD4 O60885 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SCN9A Q15858 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
TRPA1 O75762 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
SCHEMBL28131183 0.73 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4ALDH1A1MAPT
SCHEMBL174849 0.73 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4ALDH1A1MAPT
SCHEMBL877302 0.70 KDM4E (0.58) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL174245 0.70 SLC34A1 (0.41) SLC6A2SLC6A3SLC6A4HSD11B1
SCHEMBL31132318 0.69 HSPB1 (0.53) ALDH1A1MAPTSMN1; SMN2S1PR4POLB
SCHEMBL18795929 0.68 MAPT (0.50) SLC6A2SLC6A3SLC6A4ALDH1A1MAPT
SCHEMBL25598529 0.67 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4GAAMAPT
SCHEMBL19693659 0.67 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4MAPTS1PR4
SCHEMBL1137495 0.67 RHEB (0.62) SLC6A2SLC6A3SLC6A4ALDH1A1MAPT
SCHEMBL2249460 0.66 SMN1; SMN2 (0.49) SLC6A2SLC6A3SLC6A4ALDH1A1GAA

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 SLC6A2 4338/4885SLC6A3 3665/4885SLC6A4 3878/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 SLC6A2 4338/4885SLC6A3 3665/4885SLC6A4 3878/4885

“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.