SCHEMBL3687207

SCHEMBL3687207

c1cc2c(cc1CNCN1CCCCC1)OCCO2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.61
FTO Q9C0B1 1/20 0.61
DPP7 Q9UHL4 3/20 0.60
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CXCR4 P61073 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL13574529 0.80 CYP2D6 (0.71) CYP2D6ALDH1A1KMT2AKDM4E
SCHEMBL3698292 0.79 ALKBH5 (0.53) ALKBH5FTODPP7CYP2D6HPGD
SCHEMBL3699466 0.77 ALKBH5 (0.54) ALKBH5FTODPP7CYP2D6HPGD
SCHEMBL26532886 0.76 FTO (1.00) ALKBH5FTODPP7
SCHEMBL16695160 0.75 ALDH1A1 (0.52) DPP7CYP2D6HPGDALDH1A1MAPT
SCHEMBL4667670 0.74 ALDH1A1 (0.51) ALKBH5FTODPP7ALDH1A1KMT2A
SCHEMBL5651328 0.73 ALKBH5 (0.48) ALKBH5FTODPP7HPGDALDH1A1
SCHEMBL2600465 0.73 DPP7 (0.52) DPP7CYP2D6HPGDALDH1A1MAPT
SCHEMBL5650800 0.72 ALKBH5 (0.47) ALKBH5FTODPP7CYP2D6HPGD
SCHEMBL11922718 0.72 DPP7 (0.51) ALKBH5FTODPP7ALDH1A1KMT2A

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.