SCHEMBL4579500

SCHEMBL4579500

CCN(CC)CCC(=O)NCCO

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
CNR1 P21554 5/20 0.46
ALDH1A1 P00352 5/20 0.46
NAAA Q02083 1/20 0.44
PAOX Q6QHF9 1/20 0.43
DNM1 Q05193 1/20 0.43
MEN1 O00255 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
SELP P16109 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
FAAH O00519 1/20 0.42
KCNK3 O14649 1/20 0.42
CNR2 P34972 1/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL13469081 0.96 GAA (0.46) GAACNR1ALDH1A1NAAADNM1
SCHEMBL8748008 0.86 SELP (0.49) CNR1ALDH1A1NAAADNM1MEN1
SCHEMBL24626058 0.84 CYP1A2 (0.46) GAAALDH1A1PAOXDNM1MEN1
SCHEMBL4579497 0.84 GAA (0.46) GAAALDH1A1PAOXDNM1MEN1
SCHEMBL11044286 0.83 TERT (0.41) GAAALDH1A1NAAAPAOXDNM1
SCHEMBL10657598 0.83 CNR1 (0.41) GAACNR1ALDH1A1NAAADNM1
SCHEMBL8747854 0.82 CASP2 (0.55) GAACNR1ALDH1A1NAAADNM1
SCHEMBL19732503 0.82 CNR1 (0.40) GAACNR1ALDH1A1NAAADNM1
SCHEMBL18713492 0.81 FAAH (0.48) GAAALDH1A1PAOXDNM1MEN1
SCHEMBL24626480 0.81 GAA (0.51) GAAALDH1A1PAOXDNM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP claimed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US claimed
EP-1951686-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2008-08-06 EP claimed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 WO claimed
US-8846699-B2 Quinazoline derivatives as a multiplex inhibitor and method for the preparation thereof HANMI PHARM. CO., LTD. (KR) 2014-09-30 US disclosed
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP disclosed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US disclosed
EP-1951686-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2008-08-06 EP disclosed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 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-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof ABL1, JAK1, BTK GAA 547/4885CNR1 3116/4885ALDH1A1 3502/4885

“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.