SCHEMBL5592779

SCHEMBL5592779

O=C(NC1CC1)c1cc[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
SMYD3 Q9H7B4 6/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MLLT1 Q03111 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GRM5 P41594 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL30332358 0.94 HSD11B1 (0.47) MAPK8SMYD3HPGDNPC1RAB9A
SCHEMBL4705235 0.93 GRM5 (0.48) HPGDNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4283681 0.93 HPGD (0.49) HPGDNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1876540 0.92 HPGD (0.51) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL4440234 0.92 HPGD (0.51) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL3937594 0.90 SMYD3 (0.52) SMYD3
SCHEMBL15416709 0.89 CNR2 (0.46) SMYD3NPC1RAB9A
Hydrochloric Acid SCHEMBL30675640 0.89 SMYD3 (0.53) SMYD3
Hydrochloric Acid SCHEMBL30675644 0.89 SMYD3 (0.53) SMYD3
SCHEMBL8226069 0.86 SIGMAR1 (0.44) SMYD3ALDH1A1L3MBTL1HSD11B1

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
WO-2007009690-A1 HETEROCYCLYL-SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A (ES) 2007-01-25 WO claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD MAPK8 357/4885SMYD3 3261/4885HPGD 3556/4885

“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.