SCHEMBL1641802

SCHEMBL1641802

O=C(NC1CCCC1)c1cn(C2CCCC2)c(=O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 5/20 0.48
RAB9A P51151 5/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CNR2 P34972 4/20 0.46
CNR1 P21554 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL1642082 0.99 NPC1 (0.52) NPC1MAPTALDH1A1RAB9AHPGD
SCHEMBL1641925 0.99 NPC1 (0.52) NPC1MAPTALDH1A1RAB9AHPGD
SCHEMBL1640776 0.80 NPC1 (0.50) NPC1ALDH1A1RAB9AHPGDKDM4E
SCHEMBL1642049 0.79 ALDH1A1 (0.41) MAPTALDH1A1RAB9AHPGDKDM4E
SCHEMBL1640448 0.78 ALDH1A1 (0.43) MAPTALDH1A1RAB9AHPGDKDM4E
SCHEMBL1641226 0.76 BRD4 (0.53) NPC1MAPTALDH1A1RAB9AHPGD
SCHEMBL31339568 0.76 CA12 (0.41) MAPTALDH1A1RAB9AHPGDKDM4E
SCHEMBL1642283 0.76 NPC1 (0.57) NPC1MAPTALDH1A1RAB9AHPGD
SCHEMBL1640361 0.74 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ELMNACNR2
SCHEMBL1640740 0.74 CNR1 (0.63) NPC1MAPTALDH1A1CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2306828-A1 PROLYL HYDROXYLASE INHIBITORS Glaxosmithkline LLC (US) 2011-04-13 EP disclosed
WO-2009158315-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN2, EGLN3 NPC1 2262/4885MAPT 4716/4885ALDH1A1 227/4885

“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.