SCHEMBL8965394

SCHEMBL8965394

COc1ccc2sncc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
TRPM5 Q9NZQ8 1/20 0.50
BACE1 P56817 1/20 0.49
CYP1A2 P05177 3/20 0.45
CYP2A6 P11509 1/20 0.45
EGFR P00533 1/20 0.43
PTGS2 P35354 1/20 0.43
XPO1 O14980 1/20 0.43
CA2 P00918 1/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
CYP3A4 P08684 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2C9 P11712 1/20 0.42
PDK1 Q15118 1/20 0.41

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
SCHEMBL911369 0.85 CYP1A2 (0.46) PDE3BPDE3ABACE1CYP1A2CYP2A6
SCHEMBL926949 0.81 PDE3B (0.45) PDE3BPDE3ABACE1CYP1A2CYP2A6
SCHEMBL928218 0.79 NPC1 (0.43) PDE3BPDE3ABACE1CYP1A2CYP2A6
Toluene SCHEMBL28383748 0.75 CYP1A2 (0.44) CYP1A2CYP2A6NPC1RAB9ACYP11B1
SCHEMBL30129541 0.74 NCF1 (0.46) PDE3BPDE3ACYP1A2EGFRNPC1
SCHEMBL28609417 0.74 NCF1 (0.46) PDE3BPDE3ACYP1A2EGFRNPC1
SCHEMBL443070 0.71 CYP1A2 (0.79) CYP1A2CYP2A6CA2NPC1RAB9A
SCHEMBL29447161 0.71 CYP1A2 (0.79) CYP1A2CYP2A6CA2NPC1RAB9A
SCHEMBL1145044 0.70 HTT (0.48) CA2NPC1RAB9ACYP11B1CYP11B2
SCHEMBL7378448 0.69 TRPM5 (0.40) TRPM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530136-B1 Nematicidal agents CIBA GEIGY AG (CH) 1996-02-21 EP claimed
EP-0530136-A2 Nematicidal agents CIBA-GEIGY AG (CH) 1993-03-03 EP claimed
US-20220213086-A1 AZOLE COMPOUNDS AS IRAK INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-07-07 US disclosed
EP-0530136-B1 Nematicidal agents CIBA GEIGY AG (CH) 1996-02-21 EP disclosed
US-5451595-A Benzoisothiazole ethers CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0530136-A2 Nematicidal agents CIBA-GEIGY AG (CH) 1993-03-03 EP 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-20220213086-A1 AZOLE COMPOUNDS AS IRAK INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF IRAK2, IRAK4, IRAK3 PDE3B 1557/4885PDE3A 1711/4885TRPM5 3783/4885

“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.