SCHEMBL9612685

SCHEMBL9612685

Cc1cc(=O)oc2ccc(OCCn3c([N+](=O)[O-])cnc3C)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ HPGD P15428 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ KDR P35968 1/20 0.51
▸ PTK2 Q05397 1/20 0.51
▸ LMNA P02545 3/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MAOB P27338 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL9612686 0.92 MAOB (0.56) ALDH1A1HPGDKDM4EKDRPTK2
SCHEMBL8514476 0.84 LMNA (0.47) ALDH1A1KDRPTK2LMNAKMT2A
SCHEMBL8515795 0.78 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAKMT2AGAA
SCHEMBL4272926 0.75 CA2 (0.60) ALDH1A1KDRLMNAKMT2ACA12
SCHEMBL4264436 0.74 CA1 (0.55) ALDH1A1LMNACA12CA1CA2
SCHEMBL22089506 0.73 PTK2 (0.54) ALDH1A1KDRPTK2LMNAKMT2A
SCHEMBL22104537 0.73 EGFR (0.50) ALDH1A1KDRPTK2LMNAKMT2A
SCHEMBL15745911 0.73 LMNA (0.48) ALDH1A1HPGDKDM4EKDRPTK2
SCHEMBL15745908 0.73 LMNA (0.48) ALDH1A1HPGDKDM4EKDRPTK2
SCHEMBL4280875 0.72 CA1 (0.51) ALDH1A1LMNACA12CA1CA2

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 3 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
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 600/4885HPGD 576/4885KDM4E 2075/4885

“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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