SCHEMBL20051718

SCHEMBL20051718

CC(=O)CNC(=O)c1cc(N)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.54
ALDH1A1 P00352 1/20 0.46
GPR139 Q6DWJ6 2/20 0.44
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
PSMB11 A5LHX3 1/20 0.42
PSMA7 O14818 1/20 0.42
NFKB1 P19838 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMA1 P25786 1/20 0.42
PSMA2 P25787 1/20 0.42
PSMA3 P25788 1/20 0.42
PSMA4 P25789 1/20 0.42

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
SCHEMBL30739900 1.00 P2RX7 (0.54) P2RX7ALDH1A1GPR139HPGDHSD17B10
SCHEMBL30739837 0.85 P2RX7 (0.52) P2RX7ALDH1A1GPR139HPGDHSD17B10
SCHEMBL20050522 0.85 P2RX7 (0.52) P2RX7ALDH1A1GPR139HPGDHSD17B10
SCHEMBL7224774 0.84 P2RX7 (0.57) P2RX7ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL16252980 0.84 ALDH1A1 (0.62) P2RX7ALDH1A1GPR139HPGDKMT2A
SCHEMBL30739765 0.81 P2RX7 (0.49) P2RX7ALDH1A1GPR139HPGDHSD17B10
SCHEMBL20050947 0.81 P2RX7 (0.49) P2RX7ALDH1A1GPR139HPGDHSD17B10
SCHEMBL30739815 0.80 P2RX7 (0.50) P2RX7ALDH1A1GPR139HPGDHSD17B10
SCHEMBL20051720 0.80 P2RX7 (0.50) P2RX7ALDH1A1GPR139HPGDHSD17B10
SCHEMBL23465378 0.78 P2RX7 (0.46) P2RX7ALDH1A1GPR139HPGDHSD17B10

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
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
EP-3971166-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Corteva Agriscience LLC (US) 2022-03-23 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

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 P2RX7 195/4885ALDH1A1 355/4885GPR139 922/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD P2RX7 430/4885ALDH1A1 386/4885GPR139 1314/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD P2RX7 430/4885ALDH1A1 386/4885GPR139 1314/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD P2RX7 295/4885ALDH1A1 443/4885GPR139 1401/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD P2RX7 336/4885ALDH1A1 343/4885GPR139 1436/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD P2RX7 195/4885ALDH1A1 355/4885GPR139 922/4885

“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.