SCHEMBL2109726

SCHEMBL2109726

O=C(Nc1ccc2cccnc2c1O)NC1CCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TAS1R3 Q7RTX0 2/20 0.57
TAS1R1 Q7RTX1 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 6/20 0.56
MEN1 O00255 1/20 0.56
ATM Q13315 1/20 0.53
LMNA P02545 2/20 0.52
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 2/20 0.51
EPHX1 P07099 1/20 0.50
P2RX7 Q99572 1/20 0.49

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
SCHEMBL14781379 0.79 RAB9A (0.58) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL4064260 0.78 ALDH1A1 (0.57) ALDH1A1TAS1R3TAS1R1KMT2ALMNA
SCHEMBL4062971 0.77 TAS1R3 (0.58) ALDH1A1TAS1R3TAS1R1P2RX7
SCHEMBL22049808 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL703637 0.73 TAS1R3 (1.00) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL701314 0.73 TAS1R3 (1.00) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL4060243 0.72 TAS1R3 (0.49) ALDH1A1TAS1R3TAS1R1ROCK2P2RX7
SCHEMBL4066910 0.72 TAS1R3 (0.49) ALDH1A1TAS1R3TAS1R1ROCK2P2RX7
SCHEMBL2108832 0.71 MEN1 (0.57) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL7688581 0.71 EGLN1 (0.54) ALDH1A1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP claimed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US claimed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US claimed
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP disclosed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US disclosed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US disclosed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US disclosed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
WO-2007068316-A1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-06-21 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-20080312278-A1 Hydroxyquinoline Derivatives MKI67, CCNT1, CCNY ALDH1A1 820/4885KDM4E 1352/4885GAA 2405/4885

“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.