SCHEMBL193214

SCHEMBL193214

CCN(CC)c1c[c]c(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
L3MBTL1 Q9Y468 6/20 0.43
TDP1 Q9NUW8 5/20 0.43
CYP3A4 P08684 4/20 0.43
GFER P55789 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
PSMD14 O00487 1/20 0.43
RECQL P46063 1/20 0.43
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
CNR2 P34972 5/20 0.39
TERT O14746 1/20 0.38
S100B P04271 1/20 0.37
KDM4E B2RXH2 6/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
MAPT P10636 6/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36

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
SCHEMBL16166821 0.77 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1CYP3A4GFER
SCHEMBL27487560 0.77 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1CYP3A4GFER
SCHEMBL194462 0.76 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL5460294 0.75 ALDH1A1 (0.43) ALDH1A1L3MBTL1TDP1CYP3A4GFER
SCHEMBL1735497 0.71 ALDH1A1 (0.74) ALDH1A1L3MBTL1TDP1CYP3A4GFER
SCHEMBL2881066 0.70 CNR2 (0.63) ALDH1A1L3MBTL1TDP1CYP3A4GFER
SCHEMBL6494047 0.69 ALDH1A1 (0.41) ALDH1A1L3MBTL1TDP1CYP3A4GFER
Hydrochloric Acid SCHEMBL8046149 0.69 ALDH1A1 (0.70) ALDH1A1L3MBTL1TDP1CYP3A4GFER
Hydrochloric Acid SCHEMBL8046146 0.69 ALDH1A1 (0.70) ALDH1A1L3MBTL1TDP1CYP3A4GFER
SCHEMBL2868656 0.68 HRH3 (0.50) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 EP disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 US disclosed
EP-3239137-A1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 EP disclosed
US-9604962-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-28 US disclosed
US-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-9090604-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-07-28 US disclosed
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-20 US disclosed
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-8420673-B2 Fungicidal amides E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-16 US disclosed
US-8349870-B2 Fungicidal hetercyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 US disclosed
EP-2402332-A2 Fungicidal heterocyclic compounds E.I. Du Pont De Nemours And Company (US) 2012-01-04 EP disclosed
US-20100292275-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-18 US 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
US-20100004288-A1 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-07 US disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 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 (8 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-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 ALDH1A1 999/4885L3MBTL1 1495/4885TDP1 1402/4885
US-20100286147-A1 FUNGICIDAL AMIDES NAT1, NOX1, CBR1 ALDH1A1 595/4885L3MBTL1 1068/4885TDP1 1362/4885
US-20100292275-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CBR1, NOX1 ALDH1A1 506/4885L3MBTL1 1464/4885TDP1 1133/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 ALDH1A1 999/4885L3MBTL1 1495/4885TDP1 1402/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 ALDH1A1 440/4885L3MBTL1 769/4885TDP1 960/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 ALDH1A1 999/4885L3MBTL1 1495/4885TDP1 1402/4885
US-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 ALDH1A1 662/4885L3MBTL1 1442/4885TDP1 1407/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 ALDH1A1 999/4885L3MBTL1 1495/4885TDP1 1402/4885

“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.