SCHEMBL5434889

SCHEMBL5434889

O=C(O)c1[nH]c(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ PTGFR P43088 1/20 0.46
▸ PTGER3 P43115 1/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ PTGIR P43119 1/20 0.46
▸ PTGDR Q13258 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.44
▸ MAP2 P11137 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL14584122 0.87 MEN1 (0.41) HTTKDM4EHPGD
SCHEMBL5436660 0.71 TBXA2R (0.47) NPSR1LMNAHTTTBXA2RPTGFR
SCHEMBL5435479 0.70 TBXA2R (0.49) NPSR1LMNAHTTTBXA2RPTGFR
SCHEMBL11538110 0.70 MAP2 (0.58) LMNAMAP2MAPTKDM4EHPGD
SCHEMBL5882133 0.69 SPR (0.45) KDM4CMAPTKDM4ENR4A2NR4A1
SCHEMBL11132171 0.68 KDM4E (0.53) CYP1A2TSHRKDM4ENR4A2NR4A1
SCHEMBL17732131 0.68 HTT (0.45) NPSR1LMNAHTTTBXA2RPTGFR
SCHEMBL3295742 0.67 MEN1 (0.61) NPSR1LMNAHTTTBXA2RPTGFR
SCHEMBL27810368 0.66 MRGPRX4 (0.56) LMNATBXA2RPTGFRPTGER3PTGER2
SCHEMBL11549706 0.66 HPGD (0.61) LMNATBXA2RPTGFRPTGER3PTGER2

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
WO-2006015263-A2 LONIDAMINE ANALOGS THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-09 — — WO claimed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 — — US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 — — US disclosed
WO-2006015263-A2 LONIDAMINE ANALOGS THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-09 — — WO 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 (2 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-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR NPSR1 2622/4885LMNA 1353/4885HTT 839/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR NPSR1 2622/4885LMNA 1353/4885HTT 839/4885

“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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