SCHEMBL372348

SCHEMBL372348

CCOC(C)OCC.O=Cc1cnc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 7/20 0.48
GAA P10253 4/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
RAB9A P51151 5/20 0.46
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR8 Q9NR97 1/20 0.38
MGAM O43451 1/20 0.38
AKR1C3 P42330 1/20 0.37

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
SCHEMBL372557 0.86 KMT2A (0.53) KDM4EKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL232458 0.83 PDGFRB (0.65) KDM4EKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL27600512 0.82 PDGFRB (0.62) KDM4EKMT2ASMN1; SMN2ALDH1A1GAA
Iodide SCHEMBL31463336 0.82 PDGFRB (0.62) KDM4EKMT2ASMN1; SMN2ALDH1A1GAA
Bromide SCHEMBL8728376 0.82 PDGFRB (0.62) KDM4EKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL28205439 0.82 PDGFRB (0.62) KDM4EKMT2ASMN1; SMN2ALDH1A1GAA
2-Naphthaldehyde SCHEMBL434215 0.80 RAB9A (0.47) KDM4ESMN1; SMN2ALDH1A1GAARAB9A
Benzaldehyde SCHEMBL367504 0.75 ALDH1A1 (0.54) KMT2AALDH1A1MEN1NPC1LMNA
Guanidine SCHEMBL27886366 0.75 RAB9A (0.55) KDM4EKMT2ASMN1; SMN2ALDH1A1GAA
Quinoline SCHEMBL1848150 0.74 ALDH1A1 (0.59) KDM4EKMT2ASMN1; SMN2ALDH1A1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4724337-B2 2011-07-13 JP claimed
US-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ALLEN MICHAEL S 2006-06-15 US claimed
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2003-10-23 US claimed
JP-2003503388-A 2003-01-28 JP claimed
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-11-07 US claimed
EP-1192139-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES Abbott Laboratories (US) 2002-04-03 EP claimed
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 US claimed
WO-2001000582-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES ABBOTT LABORATORIES (US) 2001-01-04 WO claimed
EP-2409964-A2 Preparation of substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2012-01-25 EP disclosed
EP-2261212-A2 Preparation of quinoline-substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2010-12-15 EP 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 (4 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-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 KDM4E 211/4885KMT2A 567/4885SMN1; SMN2 4246/4885
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 KDM4E 211/4885KMT2A 567/4885SMN1; SMN2 4246/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 KDM4E 211/4885KMT2A 567/4885SMN1; SMN2 4246/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 KDM4E 211/4885KMT2A 567/4885SMN1; SMN2 4246/4885

“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.