SCHEMBL8514476

SCHEMBL8514476

Cc1cc(=O)oc2ccc(CCn3c([N+](=O)[O-])cnc3C)cc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ CA1 P00915 5/20 0.44
▸ CA2 P00918 5/20 0.44
▸ CA9 Q16790 5/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTK2 Q05397 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ GUSB P08236 1/20 0.43
▸ TYMS P04818 4/20 0.42
▸ CA12 O43570 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL8515795 0.92 ALDH1A1 (0.47) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL9612685 0.84 ALDH1A1 (0.52) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL9612686 0.78 MAOB (0.56) LMNAALDH1A1TSHRGAASMN1; SMN2
SCHEMBL4264436 0.75 CA1 (0.55) LMNAALDH1A1THRBTSHRMAPK1
Panidazole SCHEMBL1245096 0.72 LMNA (0.61) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL4280875 0.72 CA1 (0.51) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL4274127 0.69 NPC1 (0.49) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL28927348 0.68 LMNA (0.76) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL4924117 0.67 ALDH1A1 (0.56) LMNAALDH1A1THRBTSHRGAA
SCHEMBL12303965 0.67 ALDH1A1 (0.60) LMNAALDH1A1THRBTSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 — — US disclosed
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 — — 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 (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-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY CA7, CA4, CA2 LMNA 3068/4885ALDH1A1 600/4885THRB 4704/4885

“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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