SCHEMBL20045648

SCHEMBL20045648

O=C(O)C1C(c2cccc(Br)c2)C1(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC4 P56524 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 4/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KDM1A O60341 2/20 0.38
TSHR P16473 1/20 0.37
SLC9A1 P19634 1/20 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
SCHEMBL18144032 0.83 MEN1 (0.35) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL18144035 0.83 MEN1 (0.35) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL18144033 0.83 MEN1 (0.35) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL20045645 0.82 SLC9A1 (0.52) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL29241353 0.82 SLC9A1 (0.52) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL24281317 0.82 SLC9A1 (0.52) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL19385985 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL30015352 0.81 SLC9A1 (0.45) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL20983124 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL29241554 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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

“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.