SCHEMBL22105381

SCHEMBL22105381

O=C(CNO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.62
▸ PTPN1 P18031 2/20 0.61
▸ GSK3B P49841 2/20 0.61
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ CES2 O00748 1/20 0.55
▸ CES1 P23141 1/20 0.55
▸ HSD11B1 P28845 1/20 0.49
▸ SRD5A2 P31213 1/20 0.48
▸ MMP2 P08253 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ PDPK1 O15530 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL29987081 0.84 PTPN1 (0.75) MMP1PTPN1GSK3BHDAC1HDAC8
SCHEMBL26135918 0.79 MMP1 (0.76) MMP1PTPN1GSK3BHDAC1HDAC8
SCHEMBL18282694 0.79 PTPN1 (0.58) MMP1PTPN1GSK3BHDAC1HDAC8
SCHEMBL1643579 0.78 PTPN1 (0.73) MMP1PTPN1GSK3BHDAC1HDAC8
SCHEMBL2074662 0.78 PTPN1 (0.68) MMP1PTPN1GSK3BHDAC1HDAC8
SCHEMBL1360049 0.78 PTPN1 (0.68) MMP1PTPN1GSK3BHDAC1HDAC8
SCHEMBL23014264 0.78 PTPN1 (0.57) MMP1PTPN1GSK3BHSD11B1PDPK1
SCHEMBL11095198 0.78 PTPN1 (0.67) MMP1PTPN1GSK3BHDAC1HDAC8
SCHEMBL26978298 0.78 PTPN1 (0.57) MMP1PTPN1GSK3BHDAC1HDAC8
SCHEMBL22130998 0.77 PTPN1 (0.71) MMP1PTPN1GSK3BHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200187501-A1 DIARYLIMIDAZOLE COMPOUND AND HARMFUL ORGANISM CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2020-06-18 — — 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-20200187501-A1 DIARYLIMIDAZOLE COMPOUND AND HARMFUL ORGANISM CONTROL AGENT NOX1, L3MBTL1, MRM1 MMP1 3166/4885PTPN1 950/4885GSK3B 4263/4885

“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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