SCHEMBL11903069

SCHEMBL11903069

C=C(C)Cc1c(NCc2ccccc2[N+](=O)[O-])nc(-c2ccc(Cl)c(F)c2)nc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MAPK1 P28482 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL11902905 0.88 HTT (0.47) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11913408 0.86 ALDH1A1 (0.44) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11903081 0.85 HTT (0.43) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11903209 0.83 ALDH1A1 (0.42) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12786061 0.83 ALDH1A1 (0.42) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1656972 0.82 NPC1 (0.39) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11903067 0.81 HTT (0.38) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11902550 0.77 HTT (0.45) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11902749 0.76 ALDH1A1 (0.42) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12786042 0.75 ALDH1A1 (0.48) HTTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — 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 (1 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO HTT 216/4885MEN1 4608/4885KMT2A 1798/4885

“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.

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