SCHEMBL174849

SCHEMBL174849

Cc1nn(C)c(Br)c1Oc1ccc(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
SLC6A4 P31645 1/20 0.42
P2RX7 Q99572 5/20 0.41
MAPT P10636 1/20 0.40
NPBWR1 P48145 3/20 0.37
MCHR1 Q99705 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.35
S1PR4 O95977 1/20 0.34
AR P10275 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL174245 0.80 SLC34A1 (0.41) SLC6A2SLC6A3SLC6A4P2RX7NPBWR1
SCHEMBL17242886 0.77 NPC1 (0.38) SLC6A2SLC6A3SLC6A4P2RX7MAPT
SCHEMBL17242974 0.77 CASP3 (0.35) SLC6A2SLC6A3SLC6A4P2RX7MAPT
SCHEMBL174528 0.75 CRHR1 (0.42) SLC6A2SLC6A3SLC6A4P2RX7NPBWR1
SCHEMBL174656 0.74 AR (0.46) SLC6A2SLC6A3SLC6A4P2RX7HSD11B1
SCHEMBL176300 0.74 AR (0.46) SLC6A2SLC6A3SLC6A4P2RX7HSD11B1
SCHEMBL175108 0.73 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4MAPTLMNA
SCHEMBL171101 0.73 HSD11B1 (0.47) P2RX7LMNAALDH1A1HSD11B1CYP3A4
SCHEMBL28131183 0.73 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4P2RX7MAPT
SCHEMBL877302 0.72 KDM4E (0.58) P2RX7MAPTLMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140289-A1 FUNGICIDAL PYRAZOLES E. I. du Pont de Nemours and Company (US) 2017-03-15 EP disclosed
US-20170037014-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-02-09 US disclosed
WO-2015171392-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-11-12 WO 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
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 (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 SLC6A2 4338/4885SLC6A3 3665/4885SLC6A4 3878/4885
US-20170037014-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, NOX3 SLC6A2 4181/4885SLC6A3 3044/4885SLC6A4 3883/4885
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.