SCHEMBL20045600

SCHEMBL20045600

CCN(C(=O)c1cc(N)ccc1Cl)c1ccc(F)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 2/20 0.35
P2RX7 Q99572 1/20 0.35
TSHR P16473 1/20 0.34
KCNH2 Q12809 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
MAOA P21397 1/20 0.34
HTR2C P28335 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RORC P51449 3/20 0.34
GAA P10253 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL20901186 0.89 GPBAR1 (0.37) GPBAR1CYP3A4P2RX7RORCCTSL
SCHEMBL20045596 0.87 GPBAR1 (0.36) GPBAR1CYP3A4P2RX7
SCHEMBL30739658 0.87 GPBAR1 (0.36) GPBAR1CYP3A4P2RX7
SCHEMBL20045597 0.87 GPBAR1 (0.37) GPBAR1TP53CYP3A4P2RX7TSHR
SCHEMBL30739630 0.86 GPBAR1 (0.36) GPBAR1CYP3A4P2RX7CTSL
SCHEMBL20045595 0.86 GPBAR1 (0.36) GPBAR1CYP3A4P2RX7CTSL
SCHEMBL30739873 0.85 GPBAR1 (0.37) GPBAR1GAAPOLBMEN1KMT2A
SCHEMBL20045598 0.85 GPBAR1 (0.37) GPBAR1GAAPOLBMEN1KMT2A
SCHEMBL18146167 0.85 GPBAR1 (0.37) GPBAR1P2RX7RORCKDM4EALDH1A1
SCHEMBL20051094 0.83 VCAM1 (0.45) TP53CYP3A4TSHRRORCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3964495-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2022-03-09 EP disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2021-05-04 US disclosed
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-06 US disclosed
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-23 US disclosed
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-04-16 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-12 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-12 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 (6 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-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GPBAR1 2314/4885TP53 4811/4885CYP3A4 1203/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GPBAR1 2342/4885TP53 4775/4885CYP3A4 859/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD GPBAR1 2342/4885TP53 4775/4885CYP3A4 859/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD GPBAR1 2345/4885TP53 4761/4885CYP3A4 933/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD GPBAR1 2436/4885TP53 4737/4885CYP3A4 1017/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GPBAR1 2314/4885TP53 4811/4885CYP3A4 1203/4885

“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.