SCHEMBL2726495

SCHEMBL2726495

Nc1cc(C(=O)O)cc(C2=CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.49
▸ HDAC1 Q13547 9/20 0.42
▸ HDAC2 Q92769 9/20 0.42
▸ HDAC3 O15379 4/20 0.42
▸ SERPINE1 P05121 1/20 0.41
▸ TBK1 Q9UHD2 3/20 0.39
▸ IKBKE Q14164 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ DDO Q99489 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ P2RY14 Q15391 1/20 0.33

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
SCHEMBL2724549 0.95 ACMSD (0.48) ACMSDHDAC1HDAC2HDAC3SERPINE1
SCHEMBL6069021 0.76 ACMSD (0.61) ACMSDHDAC1HDAC2HDAC3SERPINE1
SCHEMBL31554955 0.76 SERPINE1 (0.59) ACMSDHDAC1HDAC2HDAC3SERPINE1
SCHEMBL417671 0.76 SERPINE1 (0.59) ACMSDHDAC1HDAC2HDAC3SERPINE1
SCHEMBL2724261 0.76 IKBKE (0.42) TBK1IKBKEMEN1ALDH1A1KMT2A
SCHEMBL1142393 0.75 KDM4E (0.50) MEN1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL27296967 0.75 ACMSD (0.49) ACMSDHDAC1HDAC2HDAC3SERPINE1
SCHEMBL109155 0.73 KDM4E (0.56) MEN1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL6051820 0.71 ACMSD (0.56) ACMSDSERPINE1MEN1ALDH1A1KMT2A
SCHEMBL1477467 0.71 KDM4E (0.54) MEN1ALDH1A1KMT2AKDM4ELMNA

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
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

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 ACMSD 2708/4885HDAC1 654/4885HDAC2 622/4885

“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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