SCHEMBL4579798

SCHEMBL4579798

O=C(CN1CCCC1)NCCO

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.77
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 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
SCHEMBL2929473 0.98 ALDH1A1 (0.81) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL4578093 0.96 ALDH1A1 (0.70) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL19606960 0.86 ALDH1A1 (0.75) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL8034106 0.84 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2TSHRHTT
SCHEMBL16731669 0.84 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2TSHRHTT
SCHEMBL4579797 0.83 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL4578424 0.82 SMN1; SMN2 (0.82) ALDH1A1SMN1; SMN2TSHRHTTKDM4E
SCHEMBL6687442 0.82 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR
SCHEMBL4578879 0.82 SIGMAR1 (0.55) ALDH1A1TDP1SMN1; SMN2HTTSIGMAR1
SCHEMBL4283848 0.82 ALDH1A1 (0.81) ALDH1A1TDP1SMN1; SMN2L3MBTL1TSHR

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 7 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
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 ALDH1A1 3502/4885TDP1 637/4885SMN1; SMN2 3956/4885

“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.