SCHEMBL403355

SCHEMBL403355

O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
HTT P42858 3/20 0.63
WDR5 P61964 1/20 0.60
HPGD P15428 2/20 0.59
ALDH1A1 P00352 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
RORC P51449 1/20 0.55
KDM4E B2RXH2 1/20 0.52
PABPC1 P11940 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
EIF4H Q15056 1/20 0.51

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
SCHEMBL29948484 1.00 MAPT (0.63) MAPTHTTWDR5HPGDALDH1A1
SCHEMBL10981544 0.92 MAPT (0.69) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL24730069 0.89 MAPT (0.60) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL29948375 0.89 MAPT (0.60) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL15668406 0.89 MAPT (0.66) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL19148638 0.87 MAPT (0.64) MAPTHTTWDR5HPGDALDH1A1
SCHEMBL2244157 0.86 HTT (0.76) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL402139 0.86 MAPT (0.77) MAPTHTTWDR5HPGDALDH1A1
SCHEMBL15668446 0.86 KMT2A (0.65) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL10224187 0.84 MAPT (0.67) MAPTHTTHPGDALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343681-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2024-10-17 US disclosed
EP-4313939-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2024-02-07 EP disclosed
CN-117098750-A Molecules having pesticidal utility, and intermediates and methods related thereto 科迪华农业科技有限责任公司 2023-11-21 CN disclosed
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 WO disclosed
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
US-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-01-31 US disclosed
US-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-01-31 US disclosed
WO-2017127627-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-07-27 WO disclosed
WO-2017127627-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-07-27 WO disclosed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO 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 (4 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-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF TSPO, GBA1, NLN MAPT 364/4885HTT 135/4885WDR5 3647/4885
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof TSPO, GBA1, NLN MAPT 364/4885HTT 135/4885WDR5 3647/4885
US-20240343681-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD MAPT 3692/4885HTT 4350/4885WDR5 3335/4885
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO MAPT 2726/4885HTT 2136/4885WDR5 205/4885

“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.