SCHEMBL15745908

SCHEMBL15745908

C=C1C=C(C)c2cc(OCCn3c([N+](=O)[O-])cnc3C)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ PTK2 Q05397 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ CA2 P00918 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ GLA P06280 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ THRB P10828 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ EGFR P00533 2/20 0.44
▸ ERBB2 P04626 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL15745911 0.92 LMNA (0.48) LMNAKMT2APTK2KDRCA2
SCHEMBL30988953 0.73 GLA (0.61) LMNAKMT2AKDRCA2CA9
SCHEMBL9612685 0.73 ALDH1A1 (0.52) LMNAKMT2APTK2KDRCA2
SCHEMBL22089506 0.72 PTK2 (0.54) LMNAKMT2APTK2KDRCA2
SCHEMBL4272926 0.71 CA2 (0.60) LMNAKMT2AKDRCA2CA9
SCHEMBL29256777 0.71 GLA (0.59) LMNAKMT2AKDRCA2CA9
SCHEMBL9612686 0.71 MAOB (0.56) LMNAKMT2APTK2KDRGLA
SCHEMBL22104306 0.70 LMNA (0.53) LMNAKMT2APTK2KDRCA2
SCHEMBL28882681 0.70 PTK2 (0.52) LMNAKMT2APTK2KDRCA2
SCHEMBL22104537 0.69 EGFR (0.50) LMNAKMT2APTK2KDRCA2

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-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 — — 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-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY CA7, CA4, CA2 LMNA 3068/4885KMT2A 2795/4885PTK2 1631/4885

“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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