SCHEMBL10109424

SCHEMBL10109424

C#COP(=S)(OC#C)Oc1nc(Cl)c(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
ALOX12 P18054 1/20 0.59
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.59
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL16130886 0.86 TDP1 (0.51) TDP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL678129 0.81 TDP1 (0.47) TDP1MEN1KMT2AALDH1A1CYP3A4
Chlorpyrifos-Methyl SCHEMBL21647865 0.78 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1CYP3A4
Chlorpyrifos-Methyl SCHEMBL27546 0.78 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1CYP3A4
Chlorpyrifos SCHEMBL7908295 0.74 ALDH1A1 (1.00) TDP1MEN1KMT2AALDH1A1CYP3A4
Chlorpyrifos SCHEMBL21680 0.74 ALDH1A1 (1.00) TDP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL634976 0.74 TDP1 (0.64) TDP1MEN1KMT2AALDH1A1CYP3A4
Chlorpyrifos SCHEMBL28945660 0.73 ALDH1A1 (0.97) TDP1MEN1KMT2AALDH1A1CYP3A4
Chlorpyrifos SCHEMBL29011072 0.73 ALDH1A1 (0.97) TDP1MEN1KMT2AALDH1A1CYP3A4
Chlorpyrifos SCHEMBL18228939 0.73 ALDH1A1 (0.97) TDP1MEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2016-02-18 US disclosed
US-8865683-B2 Active compound combinations having insecticidal properties BAYER CROPSCIENCE AG (DE) 2014-10-21 US disclosed
US-8846567-B2 Active compound combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2014-09-30 US disclosed
US-20140287915-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2014-09-25 US disclosed
US-20120021901-A1 Active Compound Combinations Having Insecticidal and Acaricidal Properties BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
US-20100311677-A1 Active Ingredient Combinations Having Insecticidal and Acaricidal Properties BAYER CROPSCIENCE AG (DE) 2010-12-09 US disclosed
US-20100249070-A1 Active Compound Combinations Having Insecticidal Properties BAYER CROPSCIENCE AG (DE) 2010-09-30 US disclosed
US-20090318386-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES FISCHER REINER 2009-12-24 US disclosed
US-20080293676-A1 Insecticidal Agents Based on Selected Insecticides and Safeners BAYER CROPSCIENCE AG (DE) 2008-11-27 US disclosed
US-20070142327-A1 Active compound combinations having insecticidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-06-21 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 (9 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-20070142327-A1 Active compound combinations having insecticidal properties ACHE, ANTXR2, NANP TDP1 1655/4885MEN1 2606/4885KMT2A 2239/4885
US-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 TDP1 3994/4885MEN1 4379/4885KMT2A 3793/4885
US-20090318386-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES AADAC, ACAA2, CYP51A1 TDP1 4150/4885MEN1 3955/4885KMT2A 1284/4885
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 TDP1 3994/4885MEN1 4379/4885KMT2A 3793/4885
US-20100249070-A1 Active Compound Combinations Having Insecticidal Properties ACHE, AADAC, NANP TDP1 2009/4885MEN1 3378/4885KMT2A 1211/4885
US-20140287915-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 TDP1 3994/4885MEN1 4379/4885KMT2A 3793/4885
US-20120021901-A1 Active Compound Combinations Having Insecticidal and Acaricidal Properties ACHE, DDT, BCHE TDP1 2269/4885MEN1 722/4885KMT2A 2325/4885
US-20100311677-A1 Active Ingredient Combinations Having Insecticidal and Acaricidal Properties ACHE, ACAT2, ACAT1 TDP1 3807/4885MEN1 3755/4885KMT2A 2847/4885
US-20080293676-A1 Insecticidal Agents Based on Selected Insecticides and Safeners ACHE, NCS1, HCN1 TDP1 3921/4885MEN1 2739/4885KMT2A 1003/4885

“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.