SCHEMBL4803580

SCHEMBL4803580

CCOC(=O)c1c(C)nc2cc(OC)ccn12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.64
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 3/20 0.52
HCRTR1 O43613 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 3/20 0.45
POLB P06746 2/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL24656748 0.89 MAPK1 (0.51) MAPK1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL19723527 0.87 LMNA (0.50) MAPK1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL19723525 0.86 MAPK1 (0.54) MAPK1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL19723524 0.86 MAPK1 (0.53) MAPK1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL19723661 0.86 MAPT (0.47) MAPK1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL1768201 0.85 RAB9A (0.69) MAPK1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL19723663 0.84 SMN1; SMN2 (0.46) MAPK1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL21893931 0.83 MAPT (0.45) MAPK1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL4538242 0.83 KMT2A (0.57) MAPK1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL16447607 0.83 MAPK1 (0.65) MAPK1KMT2ASMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456289-B2 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-25 US disclosed
US-7456289-B2 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-25 US disclosed
US-7456289-B2 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-25 US disclosed
EP-1838711-A2 ANTI-TUMOR COMPOUNDS National Health Research Institutes (TW) 2007-10-03 EP disclosed
EP-1699780-A1 NOVEL QUINOLINE DERIVATIVES Pfizer, Inc. (US) 2006-09-13 EP disclosed
WO-2006074041-A2 ANTI-TUMOR COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-13 WO disclosed
US-20060148801-A1 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-06 US disclosed
WO-2005063739-A1 NOVEL QUINOLINE DERIVATIVES PFIZER INC. (US) 2005-07-14 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-20060148801-A1 Anti-tumor compounds TUBB1, TUBB3, TUBB MAPK1 3266/4885KMT2A 2151/4885SMN1; SMN2 4181/4885

“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.