SCHEMBL20051348

SCHEMBL20051348

Nc1cc(F)c(Cl)c(C(=O)NCC(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 1/20 0.39
AKR1B1 P15121 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 2/20 0.38
AGTR1 P30556 2/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL30739800 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL20050966 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL30739815 0.80 P2RX7 (0.50) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL20051720 0.80 P2RX7 (0.50) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL30739651 0.80 AKR1B1 (0.37) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL20050523 0.80 AKR1B1 (0.37) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL30739939 0.78 CNR1 (0.46) MEN1KMT2ALMNAHPGDCYP1A2
SCHEMBL20050524 0.78 CNR1 (0.46) MEN1KMT2ALMNAHPGDCYP1A2
SCHEMBL20050949 0.77 AKR1B1 (0.36) MEN1KMT2ALMNAAKR1B1GAA
SCHEMBL30739881 0.77 AKR1B1 (0.36) MEN1KMT2ALMNAAKR1B1GAA

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 ALDH1A1 355/4885MEN1 912/4885KMT2A 2547/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 386/4885MEN1 915/4885KMT2A 2668/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD ALDH1A1 386/4885MEN1 915/4885KMT2A 2668/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 443/4885MEN1 1180/4885KMT2A 2615/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD ALDH1A1 343/4885MEN1 1462/4885KMT2A 3043/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 355/4885MEN1 912/4885KMT2A 2547/4885

“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.