SCHEMBL3699466

SCHEMBL3699466

c1cc2c(cc1CNN1CCCC1)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.54
FTO Q9C0B1 1/20 0.54
DPP7 Q9UHL4 2/20 0.50
KDM1A O60341 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL3698292 0.98 ALKBH5 (0.53) ALKBH5FTODPP7KDM1AMAOA
SCHEMBL3687207 0.77 ALKBH5 (0.61) ALKBH5FTODPP7KDM1AMAOA
SCHEMBL1253621 0.74 ALDH1A1 (0.51) ALKBH5FTOKDM1AMAOAMAOB
SCHEMBL13574529 0.73 CYP2D6 (0.71) CYP2D6ALDH1A1GAATSHRKMT2A
SCHEMBL13146607 0.73 ALDH1A1 (0.57) ALKBH5FTOKDM1AMAOAMAOB
SCHEMBL4667670 0.71 ALDH1A1 (0.51) ALKBH5FTODPP7KDM1AMAOA
SCHEMBL15444442 0.71 KDM1A (0.52) ALKBH5FTODPP7KDM1AMAOA
SCHEMBL695934 0.71 PDCD1 (0.57) CYP2D6ALDH1A1GAAHPGDTSHR
SCHEMBL20225729 0.71 PDCD1 (0.57) CYP2D6ALDH1A1GAAHPGDTSHR
SCHEMBL26532886 0.71 FTO (1.00) ALKBH5FTODPP7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 US disclosed
EP-1551829-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-07-13 EP disclosed
WO-2004035569-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-04-29 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 ALKBH5 2802/4885FTO 4747/4885DPP7 342/4885

“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.