SCHEMBL11903079

SCHEMBL11903079

C=C(C)Cc1c(C(=O)OC)nc(-c2ccc(Cl)c(OC)c2F)nc1N(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.36
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ LMNA P02545 3/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ MEP1B Q16820 1/20 0.30
▸ EIF4E P06730 1/20 0.30
▸ AGTR1 P30556 1/20 0.30

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
SCHEMBL118964 0.88 MAPT (0.39) HTTMAPTPOLBMEN1KMT2A
SCHEMBL2683749 0.86 MAPT (0.36) HTTMAPTPOLBMEN1KMT2A
SCHEMBL11903067 0.85 HTT (0.38) HTTMAPTPOLBMEN1KMT2A
SCHEMBL11903081 0.81 HTT (0.43) HTTMAPTPOLBMEN1KMT2A
SCHEMBL2683808 0.79 HTT (0.35) HTTMAPTPOLBMEN1KMT2A
SCHEMBL11903114 0.78 MEP1B (0.35) KDM4EALDH1A1SMN1; SMN2MEP1B
SCHEMBL2684319 0.77 HTT (0.33) HTTMAPTPOLBMEN1KMT2A
SCHEMBL2682967 0.76 TAS1R3 (0.38) KDM4EALDH1A1PTPN1MEP1B
SCHEMBL11902745 0.76 ALDH1A1 (0.33) HTTMAPTPOLBMEN1KMT2A
SCHEMBL11903156 0.76 CYP1A2 (0.39) MAPTPOLBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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 (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 216/4885MAPT 4272/4885POLB 1342/4885

“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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