SCHEMBL2736509

SCHEMBL2736509

COc1cc(C)cn(C)c1=S

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
ALDH1A1 P00352 5/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SYK P43405 1/20 0.32
LMNA P02545 1/20 0.32
ERN1 O75460 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
BRD9 Q9H8M2 1/20 0.30
MAPT P10636 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP19A1 P11511 1/20 0.30
NQO2 P16083 1/20 0.30

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
SCHEMBL18163876 0.75 BRD4 (0.42) ACHEALDH1A1KMT2AGAAKDM4E
SCHEMBL16726628 0.69
SCHEMBL2736497 0.68 CYP19A1 (0.38) ACHEKMT2AGAAMEN1BRD9
SCHEMBL2611542 0.61 ACHE (0.65) ACHEALDH1A1CYP3A4KMT2AGAA
SCHEMBL171116 0.59 ACHE (1.00) ACHEALDH1A1CYP3A4KMT2AMEN1
SCHEMBL15424071 0.59 ACHE (0.62) ACHEALDH1A1CYP3A4GAALMNA
SCHEMBL25096400 0.59 KDM4E (0.38) ACHEALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL22246174 0.59 BMPR1B (0.40) ACHEKMT2AGAALMNAERN1
SCHEMBL16259898 0.59 ACHE (0.38) ACHEALDH1A1KDM4ELMNA
SCHEMBL4653074 0.58 ACHE (0.56) ACHEALDH1A1CYP3A4KMT2AMEN1

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
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 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 (2 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R ACHE 1564/4885ALDH1A1 3078/4885CYP3A4 649/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 ACHE 216/4885ALDH1A1 3580/4885CYP3A4 2961/4885

“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.