SCHEMBL10237941

SCHEMBL10237941

CCc1sc(-c2ccc(-c3ccc(Cl)c(C)c3)c(C)c2)nc1C1C(=O)[C@@H]2CC[C@@H](C2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ CNR2 P34972 3/20 0.31
▸ NR1H4 Q96RI1 2/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL10237940 0.95 PDE3B (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL10237945 0.87 SLC6A3 (0.37) KDM4EMEN1ALDH1A1KMT2APDE3B
SCHEMBL10237956 0.86 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL10237901 0.82 PDE3B (0.34) MEN1KMT2APDE3BPDE3ACNR2
SCHEMBL10238143 0.82 EIF4E (0.34) KDM4EALDH1A1
SCHEMBL16215992 0.81 HRH3 (0.41) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL10237937 0.81 HRH3 (0.41) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL608047 0.81 HRH3 (0.41) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL10238014 0.80 GLA (0.36) KDM4EALDH1A1PTGDR2GLA
SCHEMBL10237996 0.80 KDM4E (0.40) KDM4EALDH1A1

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 4 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

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 KDM4E 1609/4885MEN1 4762/4885ALDH1A1 294/4885

“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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