SCHEMBL19449477

SCHEMBL19449477

COc1ccc(CNC(=O)CC(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.67
PLA2G1B P04054 1/20 0.63
ATG4B Q9Y4P1 1/20 0.63
NPC1 O15118 3/20 0.61
ALDH1A1 P00352 4/20 0.57
RAB9A P51151 2/20 0.57
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTT P42858 1/20 0.56
ANPEP P15144 1/20 0.56
PKM P14618 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 1/20 0.54
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL13487932 0.89 NPC1 (0.63) HPGDPLA2G1BATG4BNPC1ALDH1A1
SCHEMBL14183973 0.86 PLA2G1B (0.62) PLA2G1BATG4BNPC1ALDH1A1RAB9A
SCHEMBL6431910 0.85 PLA2G1B (0.57) HPGDPLA2G1BATG4BNPC1ALDH1A1
SCHEMBL5864338 0.85 PLA2G1B (0.57) HPGDPLA2G1BATG4BNPC1ALDH1A1
SCHEMBL5330912 0.85 PLA2G1B (0.61) PLA2G1BATG4BNPC1ALDH1A1RAB9A
SCHEMBL19410699 0.84 ALDH1A1 (0.60) PLA2G1BATG4BNPC1ALDH1A1RAB9A
SCHEMBL21740800 0.84 SMN1; SMN2 (0.65) HPGDALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL7524288 0.84 PLA2G1B (0.56) PLA2G1BATG4BNPC1ALDH1A1RAB9A
SCHEMBL8244679 0.82 HPGD (0.64) HPGDCA12CA1CA2
SCHEMBL24670283 0.81 HPGD (0.73) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 US 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-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF RNASE1, ENTPD5, ACE HPGD 881/4885PLA2G1B 2681/4885ATG4B 1403/4885

“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.