SCHEMBL11903067

SCHEMBL11903067

C=C(C)Cc1c(C(=O)OC)nc(-c2ccc(Cl)c(F)c2)nc1N(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.38
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 6/20 0.33
▸ POLB P06746 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ EIF4E P06730 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ TSPO P30536 1/20 0.32

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
SCHEMBL11902903 0.88 HTT (0.38) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11903079 0.85 HTT (0.36) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1656970 0.82 MAPT (0.32) HTTKDM4EALDH1A1LMNACYP1A2
SCHEMBL11903208 0.82 HTT (0.34) HTTMEN1KMT2AKDM4ELMNA
SCHEMBL11903210 0.82 HTT (0.34) HTTMEN1KMT2AKDM4ELMNA
SCHEMBL11903069 0.81 HTT (0.45) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11902745 0.76 ALDH1A1 (0.33) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11902905 0.72 HTT (0.47) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL118964 0.72 MAPT (0.39) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2683808 0.71 HTT (0.35) 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 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 216/4885MEN1 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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