SCHEMBL4763427

SCHEMBL4763427

CN1CCN(c2ncc(C(=O)O)c(=O)[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.53
▸ HTR3A P46098 3/20 0.48
▸ KDM6B O15054 6/20 0.48
▸ KDM4A O75164 6/20 0.48
▸ HIF1AN Q9NWT6 6/20 0.48
▸ KDM2A Q9Y2K7 6/20 0.48
▸ KDM4D Q6B0I6 5/20 0.48
▸ HRH4 Q9H3N8 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM3B Q7LBC6 5/20 0.41
▸ KDM5B Q9UGL1 4/20 0.41
▸ PKM P14618 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL27810931 0.82 KMT2A (0.48) MAPTKDM6BKDM4AHIF1ANKDM2A
SCHEMBL6297322 0.80 MAPT (0.54) MAPTKDM6BKDM4AHIF1ANKDM2A
SCHEMBL10324192 0.72 TNKS (0.43) HTR3AHRH4ALDH1A1GLATSHR
SCHEMBL10322954 0.72 HTR3A (0.46) HTR3AHRH4ALDH1A1PKML3MBTL1
SCHEMBL32671634 0.72 POLB (0.58) MAPTHTR3AHRH4ALDH1A1TSHR
SCHEMBL27737544 0.69 NSD2 (0.42) HRH4ALDH1A1PKML3MBTL1KMT2A
SCHEMBL21477245 0.69 ALDH1A1 (0.52) MAPTHTR3AHRH4ALDH1A1GLA
SCHEMBL23900414 0.69 KDM6B (0.61) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL10322786 0.68 KDM4E (0.45) MAPTHTR3AHRH4ALDH1A1PKM
SCHEMBL7712513 0.67 HRH4 (0.49) HTR3AHRH4ALDH1A1GLAPOLB

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-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 — — EP disclosed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 — — US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 — — 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 MAPT 3122/4885HTR3A 4448/4885KDM6B 4440/4885

“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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