SCHEMBL13047713

SCHEMBL13047713

CC(C)C(=O)Nc1sc(-c2cccnc2)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 5/20 0.46
CYP2C19 P33261 5/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
ADORA1 P30542 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL13047708 0.87 MEN1 (0.45) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL13047554 0.83 CYP1A2 (0.58) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL13075073 0.82 CYP1A2 (0.49) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL15047242 0.82 CYP1A2 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL299353 0.82 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL13047709 0.81 MEN1 (0.46) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL13075006 0.81 CYP1A2 (0.46) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL290631 0.80 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL13047710 0.79 MEN1 (0.45) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL13047492 0.76 MAPT (0.44) MEN1KMT2AMAPTCYP1A2CYP3A4

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
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 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 (4 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-20100292253-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 MEN1 1962/4885KMT2A 3110/4885MAPT 3518/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 MEN1 1962/4885KMT2A 3110/4885MAPT 3518/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 MEN1 1962/4885KMT2A 3110/4885MAPT 3518/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 MEN1 1962/4885KMT2A 3110/4885MAPT 3518/4885

“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.