SCHEMBL18147758

SCHEMBL18147758

O=C(O)Nc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
KMT2A Q03164 8/20 0.62
MEN1 O00255 7/20 0.62
ALDH1A1 P00352 6/20 0.62
HTT P42858 5/20 0.62
LMNA P02545 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPK1 P28482 1/20 0.55
RORC P51449 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
CXCR1 P25024 1/20 0.48
CXCR2 P25025 1/20 0.48
HIF1A Q16665 1/20 0.47

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
SCHEMBL18147762 1.00 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL2852173 0.87 KMT2A (0.69) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL2852168 0.87 KMT2A (0.69) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL30725831 0.85 HTT (0.60) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL8462703 0.85 HTT (0.60) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL9836357 0.85 MAPT (0.57) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL4686948 0.84 MEN1 (0.54) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL4686951 0.84 MEN1 (0.54) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL29074265 0.83 KMT2A (0.64) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL25433021 0.83 RORC (0.60) MAPTKMT2AMEN1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987568-B2 Allosteric inhibitor of WEE1 kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-05-21 US disclosed
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-20210309630-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-10-07 US disclosed
US-20210106571-A1 ISOTHIOCYANATE-ANDROGEN RECEPTOR INHIBITOR CONJUGATES FOR APOPTOSIS AND/OR FERROPTOSIS INDUCTION IN CANCER CELLS WAYNE STATE UNIVERSITY (US) 2021-04-15 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
WO-2020028814-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-02-06 WO 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 (10 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 MAPT 3431/4885KMT2A 2615/4885MEN1 1180/4885
US-11632957-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD MAPT 3431/4885KMT2A 2615/4885MEN1 1180/4885
US-20210309630-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE WEE1, WEE2, PAXBP1 MAPT 3332/4885KMT2A 581/4885MEN1 2076/4885
US-11987568-B2 Allosteric inhibitor of WEE1 kinase WEE1, WEE2, PAXBP1 MAPT 3332/4885KMT2A 581/4885MEN1 2076/4885
US-20210106571-A1 ISOTHIOCYANATE-ANDROGEN RECEPTOR INHIBITOR CONJUGATES FOR APOPTOSIS AND/OR FERROPTOSIS INDUCTION IN CANCER CELLS AR, AIFM2, GSR MAPT 3010/4885KMT2A 1536/4885MEN1 3714/4885
US-20160304522-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD MAPT 3431/4885KMT2A 2615/4885MEN1 1180/4885
US-10219516-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD MAPT 3431/4885KMT2A 2615/4885MEN1 1180/4885
US-20230180761-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD MAPT 3431/4885KMT2A 2615/4885MEN1 1180/4885
US-20200196607-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD MAPT 3431/4885KMT2A 2615/4885MEN1 1180/4885
US-20170339961-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD MAPT 3431/4885KMT2A 2615/4885MEN1 1180/4885

“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.