SCHEMBL10238066

SCHEMBL10238066

Cc1cc(Cl)ncc1-c1nc(C2C(=O)[C@@H]3CC[C@@H](C3)C2=O)c(C)s1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.35
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ PLAT P00750 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
SCHEMBL10238148 0.87 ABL1 (0.33) ABL1
SCHEMBL10237929 0.84 ACHE (0.39) ABL1ACHE
SCHEMBL10237932 0.80 PIK3CA (0.37) CHRNB2CHRNA4ACHE
SCHEMBL10237978 0.79 POLB (0.33) —
SCHEMBL10238062 0.79 ACHE (0.39) ACHE
SCHEMBL10237900 0.79 SHMT1 (0.41) ACHE
SCHEMBL10238058 0.79 ALDH1A1 (0.37) ACHE
SCHEMBL10237926 0.77 GRM2 (0.39) ACHE
SCHEMBL10237917 0.77 DHODH (0.35) ACHE
SCHEMBL10238030 0.77 HTR2C (0.44) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC ABL1 1839/4885CHRNB2 2150/4885CHRNA4 2206/4885

“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.

Send feedback