SCHEMBL11903320

SCHEMBL11903320

COc1c(Cl)ccc(-c2nc(C(=O)OCc3ccco3)c3c(C)c[nH]c3n2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPT P10636 5/20 0.35
▸ POLB P06746 5/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ TP53 P04637 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL11903387 0.86 DHODH (0.36) TDP1LMNARAB9ASLC6A2SLC6A3
SCHEMBL11903199 0.86 POLB (0.36) TDP1ALDH1A1MAPTPOLBLMNA
SCHEMBL11903334 0.86 JAK3 (0.38) MAPK1ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL1654718 0.84 TAS1R3 (0.34) ALDH1A1HSD17B10KDM4EKMT2APKM
SCHEMBL11903222 0.82 SMN1; SMN2 (0.34) ALDH1A1MAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL11902933 0.81 SMN1; SMN2 (0.34) TDP1ALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL11902410 0.81 SMN1; SMN2 (0.34) TDP1ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL21584402 0.81 TDP1 (0.39) TDP1MAPK1ALDH1A1MAPTPOLB
SCHEMBL11902785 0.81 SMN1; SMN2 (0.40) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL1654720 0.80 KMO (0.41) ALDH1A1MAPTSMN1; SMN2HSD17B10KDM4E

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 TDP1 2404/4885MAPK1 2973/4885ALDH1A1 718/4885

“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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