SCHEMBL18147353

SCHEMBL18147353

CN(C(=O)O)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.41
HCAR3 P49019 2/20 0.41
TSHR P16473 3/20 0.41
PTGS2 P35354 1/20 0.40
CASP6 P55212 1/20 0.40
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38
DTYMK P23919 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.36
VCAM1 P19320 1/20 0.36
ESPL1 Q14674 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
SCHEMBL18147351 1.00 ATM (0.50) ATMTDP1MAPTNPSR1HCAR3
SCHEMBL585127 0.88 ALDH1A1 (0.49) ATMMAPTNPSR1HCAR3PTGS2
SCHEMBL585128 0.88 ALDH1A1 (0.49) ATMMAPTNPSR1HCAR3PTGS2
SCHEMBL23525135 0.88 ATM (0.50) ATMTDP1MAPTNPSR1HCAR3
SCHEMBL18147357 0.83 MAPT (0.68) ATMTDP1MAPTNPSR1HCAR3
SCHEMBL18147359 0.83 MAPT (0.68) ATMTDP1MAPTNPSR1HCAR3
SCHEMBL5881575 0.81 TSHR (0.50) ATMTDP1MAPTNPSR1HCAR3
SCHEMBL18154006 0.80 ATM (0.43) ATMTDP1MAPTNPSR1HCAR3
SCHEMBL11881797 0.80 ATM (0.45) ATMTDP1MAPTNPSR1TSHR
SCHEMBL11765935 0.79 TSHR (0.57) TDP1MAPTNPSR1HCAR3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230180761-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-06-15 US disclosed
US-11632957-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto CORTEVA AGRISCIENCE LLC (US) 2023-04-25 US disclosed
US-20200196607-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-06-25 US disclosed
EP-3578543-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2019-12-11 EP disclosed
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed
US-20190090488-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2019-03-28 US disclosed
US-10219516-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2019-03-05 US disclosed
EP-3283459-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-02-21 EP disclosed
US-20170339961-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-11-30 US disclosed
US-9781935-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-10-10 US disclosed
WO-2016168059-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-10-20 WO disclosed
US-20160304522-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2016-10-20 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 (7 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-20190090488-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD ATM 1965/4885TDP1 683/4885MAPT 3431/4885
US-11632957-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD ATM 1965/4885TDP1 683/4885MAPT 3431/4885
US-20160304522-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD ATM 1965/4885TDP1 683/4885MAPT 3431/4885
US-10219516-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD ATM 1965/4885TDP1 683/4885MAPT 3431/4885
US-20230180761-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD ATM 1965/4885TDP1 683/4885MAPT 3431/4885
US-20200196607-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD ATM 1965/4885TDP1 683/4885MAPT 3431/4885
US-20170339961-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD ATM 1965/4885TDP1 683/4885MAPT 3431/4885

“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.