SCHEMBL5263286

SCHEMBL5263286

COc1cc2[nH]c(CS)nc(=O)c2c(C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GRIN2D O15399 3/20 0.36
▸ GRIN3B O60391 3/20 0.36
▸ GRIN1 Q05586 3/20 0.36
▸ GRIN2A Q12879 3/20 0.36
▸ GRIN2B Q13224 3/20 0.36
▸ GRIN2C Q14957 3/20 0.36
▸ GRIN3A Q8TCU5 3/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ NQO2 P16083 2/20 0.36
▸ PDE3B Q13370 3/20 0.35
▸ PDE3A Q14432 3/20 0.35
▸ POLB P06746 3/20 0.34
▸ PDPK1 O15530 1/20 0.34

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
SCHEMBL5259625 0.89 PDE3B (0.39) KMT2AMEN1PSMD14MMP2MAPT
SCHEMBL5261238 0.81 PDE3B (0.40) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13982640 0.74 PDE3B (0.43) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10743369 0.73 PDE3B (0.44) KMT2AMAPTGRIN2DGRIN3BGRIN1
SCHEMBL5621958 0.73 SMN1; SMN2 (0.40) KMT2AMEN1MAPTTDP1POLB
SCHEMBL5620833 0.72 FABP4 (0.41) KMT2ATDP1KDM4E
SCHEMBL5621277 0.72 P2RX7 (0.41) GRIN1GRIN2BBRD4
SCHEMBL5623105 0.71 ALDH1A1 (0.35) KMT2AMEN1MAPTPOLBBRD4
SCHEMBL10743965 0.71 SMPD3 (0.41) KMT2AMEN1MAPTPDE3BPDE3A
SCHEMBL5793230 0.71 BRD4 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644343-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-07-04 — — EP disclosed
EP-1644343-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 — — EP disclosed
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 — — US disclosed
WO-2005005397-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 — — 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-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1B, ADRB2 KMT2A 3011/4885MEN1 3488/4885PSMD14 4429/4885

“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.

Send feedback