SCHEMBL10237906

SCHEMBL10237906

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 7/20 0.46
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ COMT P21964 1/20 0.38
▸ PTGS2 P35354 2/20 0.37
▸ RORB Q92753 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ MPL P40238 1/20 0.34
▸ DHODH Q02127 1/20 0.34

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
SCHEMBL10237908 0.95 NOTUM (0.44) NOTUMPDE3BPDE3ACOMTPTGS2
SCHEMBL16215997 0.87 SLC6A3 (0.39) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL10237915 0.87 SLC6A3 (0.39) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL10237927 0.86 CYP11B1 (0.34) PTGS2
SCHEMBL16215977 0.86 CYP11B1 (0.34) PTGS2
SCHEMBL10237901 0.86 PDE3B (0.34) PDE3BPDE3AMAPTGRM2
SCHEMBL10237917 0.84 DHODH (0.35) KDM4ELMNAMAPTSMN1; SMN2DHODH
SCHEMBL10238025 0.82 NPC1 (0.43) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL10237905 0.82 ACHE (0.37) —
SCHEMBL10238063 0.81 EIF4E (0.35) KDM4EALDH1A1MAPTHPGDGRM2

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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