SCHEMBL1979633

SCHEMBL1979633

Cc1ccc(C)c(NC(=O)N2CCC(C(N)=S)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.58
THRB P10828 2/20 0.57
TSHR P16473 1/20 0.54
TP53 P04637 3/20 0.54
RAB9A P51151 3/20 0.52
NPC1 O15118 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL3686221 0.88 TSHR (0.52) MDM2THRBTSHRTP53RAB9A
SCHEMBL3682227 0.88 MAPT (0.61) MDM2THRBTSHRMEN1KMT2A
SCHEMBL3682625 0.84 RAB9A (0.56) MDM2THRBTP53RAB9ANPC1
SCHEMBL1980541 0.79 THRB (0.58) MDM2THRBTP53RAB9ANPC1
SCHEMBL14372217 0.77 RAB9A (0.64) THRBTP53RAB9ANPC1MEN1
SCHEMBL3683326 0.75 ALDH1A1 (0.46) MDM2TSHRMEN1KMT2AMAPT
SCHEMBL4492029 0.72 TP53 (0.80) THRBTP53RAB9ANPC1MEN1
SCHEMBL3759963 0.71 MDM2 (0.42) MDM2TSHRMEN1KMT2A
SCHEMBL1575011 0.71 TP53 (0.55) THRBTP53RAB9ANPC1MEN1
SCHEMBL25263692 0.71 CA12 (0.59) THRBTP53RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US claimed
EP-3122746-B1 PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2018-04-25 EP disclosed
EP-2187748-B1 FUNGICIDAL COMPOUNDS AND MIXTURES DU PONT (US) 2017-07-05 EP disclosed
US-20170137417-A1 PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 US disclosed
US-20170137417-A1 PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 US disclosed
WO-2015144571-A1 PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-10-01 WO disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-20130045948-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E I DU PONT DE NEMOURS AND COMPANY (US) 2013-02-21 US disclosed
EP-2509978-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E.I. Du Pont De Nemours And Company (US) 2012-10-17 EP disclosed
WO-2011072207-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-16 WO disclosed
US-20100286147-A1 FUNGICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-11-11 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US 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-20130045948-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, NCEH1 MDM2 3471/4885THRB 3436/4885TSHR 2095/4885
US-20100286147-A1 FUNGICIDAL AMIDES NAT1, NOX1, CBR1 MDM2 4261/4885THRB 4375/4885TSHR 3362/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 MDM2 3870/4885THRB 4319/4885TSHR 2769/4885
US-20170137417-A1 PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES CYP1A1, PNPO, PADI1 MDM2 1207/4885THRB 3602/4885TSHR 2973/4885

“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.