SCHEMBL2724517

SCHEMBL2724517

C=Cc1cc(N)cc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ DDO Q99489 1/20 0.42
▸ TPMT P51580 3/20 0.40
▸ UNG P13051 1/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SELL P14151 1/20 0.35

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
SCHEMBL10068717 0.85 CA12 (0.44) KDM4EALDH1A1LMNATPMTUNG
SCHEMBL3108438 0.85 CA12 (0.44) KDM4EALDH1A1LMNATPMTUNG
SCHEMBL19232898 0.82 HDAC2 (0.32) ALDH1A1HDAC2TSHR
SCHEMBL13359914 0.82 UNG (0.52) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL5174897 0.80 DHODH (0.50) KDM4EALDH1A1LMNATPMTUNG
SCHEMBL13671454 0.79 KDM4E (0.39) KDM4EALDH1A1LMNAMEN1KMT2A
Ethylene SCHEMBL29067611 0.78 KDM4E (0.52) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL223304 0.78 KDM4E (0.56) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL2820215 0.78 KDM4E (0.56) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL109155 0.78 KDM4E (0.56) KDM4EALDH1A1LMNAMEN1KMT2A

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
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 — — EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 — — US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 — — WO disclosed
EP-2103618-A1 Novel ansamitocin derivatives Leibniz Universität Hannover (DE) 2009-09-23 — — EP 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB KDM4E 1541/4885ALDH1A1 33/4885LMNA 1865/4885

“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.

Send feedback