SCHEMBL3779648

SCHEMBL3779648

OCCC1(NCc2ccc3c(c2)OCCO3)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 3/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALOX12 P18054 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 4/20 0.34
HTT P42858 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3775317 0.93 ALDH1A1 (0.47) ALDH1A1GAAKDM4ESMN1; SMN2ALOX12
SCHEMBL2797107 0.90 ALDH1A1 (0.42) ALDH1A1GAAALKBH5FTOKDM1A
SCHEMBL3775144 0.79 PARP1 (0.54) ALDH1A1GAAMAOA
SCHEMBL2796641 0.79 ALDH1A1 (0.44) ALDH1A1GAAALKBH5FTOKDM1A
SCHEMBL2800444 0.78 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2HPGDHTT
SCHEMBL622737 0.73 KCNH2 (0.38) ALDH1A1GAAHPGD
SCHEMBL4758958 0.72 ALDH1A1 (0.42) ALDH1A1GAAKDM1AMAOAMAOB
SCHEMBL5513101 0.71 TSHR (0.47) ALDH1A1ALKBH5FTOSMN1; SMN2HPGD
SCHEMBL19441519 0.68 LMNA (0.42) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL14020819 0.68 KDM1A (0.51) ALDH1A1GAAKDM1AMAOAMAOB

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
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
CN-101341126-A Antibacterial active 5-chinolin derivative MORPHOCHEM AG FUER KOM (DE) 2009-01-07 CN disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B ALDH1A1 3016/4885GAA 321/4885ALKBH5 2320/4885

“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.