SCHEMBL11903008

SCHEMBL11903008

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)nc2c1cc(C)n2Cc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.43
▸ ALDH1A1 P00352 10/20 0.42
▸ MAPT P10636 6/20 0.42
▸ LMNA P02545 4/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ USP2 O75604 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL11902325 0.91 ALDH1A1 (0.40) TSHRALDH1A1MAPTLMNANPSR1
SCHEMBL11903049 0.85 GAA (0.41) TSHRALDH1A1MAPTLMNANPSR1
SCHEMBL11902918 0.85 TSHR (0.42) TSHRALDH1A1MAPTLMNANPSR1
SCHEMBL1653854 0.83 GCGR (0.37) ALDH1A1SMN1; SMN2KDM4EPKMHPGD
SCHEMBL1656981 0.83 TSHR (0.52) TSHRALDH1A1MAPTLMNANPSR1
SCHEMBL11903055 0.81 HTT (0.42) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL11913403 0.81 GABRA2 (0.38) ALDH1A1SMN1; SMN2KDM4ERAB9APKM
SCHEMBL11902957 0.77 NOTUM (0.40) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1608896 0.76 APP (0.42) TSHRALDH1A1MAPTLMNANPSR1
SCHEMBL11903226 0.73 HDAC1 (0.39) ALDH1A1LMNASMN1; SMN2KDM4E

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
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 TSHR 2970/4885ALDH1A1 718/4885MAPT 4272/4885

“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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