SCHEMBL10238058

SCHEMBL10238058

Cc1sc(-c2ccccc2Cl)nc1C1C(=O)[C@@H]2CC[C@@H](C2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ACHE P22303 3/20 0.36
▸ MAT2A P31153 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10238030 0.91 HTR2C (0.44) ACHEHTR2C
SCHEMBL10238062 0.86 ACHE (0.39) KDM4EMAPTACHEPDE4DEGFR
SCHEMBL10237900 0.86 SHMT1 (0.41) ALDH1A1KDM4EMAPTRAB9AACHE
SCHEMBL10238139 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL10238017 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL10237929 0.81 ACHE (0.39) ACHEPDE4DTP53CASP3
SCHEMBL10237934 0.80 RAB9A (0.40) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL16215997 0.80 SLC6A3 (0.39) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL10237915 0.80 SLC6A3 (0.39) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL10237926 0.79 GRM2 (0.39) ACHEPDE4DBCHETP53

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 ALDH1A1 294/4885KDM4E 1609/4885HPGD 1737/4885

“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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