SCHEMBL8515795

SCHEMBL8515795

Cc1cc(=O)oc2cc(CCn3c([N+](=O)[O-])cnc3C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ THRB P10828 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ CA1 P00915 7/20 0.45
▸ CA2 P00918 7/20 0.45
▸ CA9 Q16790 7/20 0.45
▸ MAOB P27338 3/20 0.45
▸ CA5A P35218 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CA12 O43570 3/20 0.43
▸ GUSB P08236 1/20 0.43
▸ AR P10275 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL8514476 0.92 LMNA (0.47) ALDH1A1LMNATHRBTSHRMAPK1
SCHEMBL9612686 0.84 MAOB (0.56) ALDH1A1LMNATSHRGAAMAOB
SCHEMBL9612685 0.78 ALDH1A1 (0.52) ALDH1A1LMNATHRBTSHRMAPK1
SCHEMBL4264436 0.75 CA1 (0.55) ALDH1A1LMNATHRBTSHRMAPK1
SCHEMBL4274127 0.73 NPC1 (0.49) ALDH1A1LMNATHRBTSHRMAPK1
Panidazole SCHEMBL1245096 0.72 LMNA (0.61) ALDH1A1LMNATHRBTSHRMAPK1
SCHEMBL4280875 0.72 CA1 (0.51) ALDH1A1LMNATHRBTSHRMAPK1
SCHEMBL4269303 0.71 CYP2D6 (0.51) ALDH1A1CA1CA2CA9CA12
SCHEMBL4929370 0.69 CA9 (0.61) ALDH1A1LMNATHRBMAPK1GAA
SCHEMBL28927348 0.68 LMNA (0.76) ALDH1A1LMNATHRBTSHRMAPK1

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 ALDH1A1 600/4885LMNA 3068/4885THRB 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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