SCHEMBL7915808

SCHEMBL7915808

CCOc1ccc(C(=O)NC=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.67
▸ NPC1 O15118 6/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.56
▸ TAS1R1 Q7RTX1 1/20 0.56
▸ PARP10 Q53GL7 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ POLB P06746 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53

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
SCHEMBL7919709 0.83 MAPT (0.57) PLK1NPC1RAB9AALDH1A1MAPT
SCHEMBL7919711 0.83 NPC1 (0.52) PLK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7906086 0.82 PLK1 (0.54) PLK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7906084 0.81 GAA (0.54) PLK1NPC1RAB9AHPGDALDH1A1
SCHEMBL12966671 0.81 NPC1 (0.54) PLK1NPC1RAB9AHPGDALDH1A1
SCHEMBL14880157 0.80 PLK1 (0.73) PLK1NPC1RAB9ANPSR1HPGD
SCHEMBL2636457 0.80 PLK1 (0.73) PLK1NPC1RAB9ANPSR1HPGD
SCHEMBL2528973 0.80 PLK1 (1.00) PLK1NPC1RAB9ANPSR1HPGD
SCHEMBL12966734 0.80 ALDH1A1 (0.65) PLK1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL12966676 0.80 PLK1 (0.47) PLK1NPC1CYP1A2PARP10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 — — US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 — — 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-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 PLK1 3708/4885NPC1 3681/4885RAB9A 2487/4885

“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.

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