SCHEMBL10237908

SCHEMBL10237908

Cc1sc(-c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(C(F)(F)F)c2)nc1C1C(=O)[C@@H]2CC[C@@H](C2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.44
▸ PDE3B Q13370 5/20 0.37
▸ PDE3A Q14432 5/20 0.37
▸ COMT P21964 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ RORB Q92753 2/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ AKR1C2 P52895 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ CASP3 P42574 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
SCHEMBL10237906 0.95 NOTUM (0.46) NOTUMPDE3BPDE3ACOMTPTGS2
SCHEMBL10237905 0.84 ACHE (0.37) —
SCHEMBL16215997 0.83 SLC6A3 (0.39) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL10237915 0.83 SLC6A3 (0.39) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL16215977 0.82 CYP11B1 (0.34) PTGS2
SCHEMBL10237927 0.82 CYP11B1 (0.34) PTGS2
SCHEMBL10237901 0.82 PDE3B (0.34) PDE3BPDE3AMAPT
SCHEMBL10237917 0.80 DHODH (0.35) KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL10238025 0.78 NPC1 (0.43) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL10238063 0.77 EIF4E (0.35) KDM4EALDH1A1MAPTHPGD

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 NOTUM 166/4885PDE3B 2615/4885PDE3A 2386/4885

“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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