SCHEMBL6542702

SCHEMBL6542702

COc1ccc2c(c1)C(O)=C(c1ccccc1)NC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.43
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
BACE1 P56817 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 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
SCHEMBL8232389 0.73 ALDH1A1 (0.45) KDM4ESMN1; SMN2MAPTALDH1A1CYP1A2
SCHEMBL7944009 0.69 METAP1 (0.50) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL2849831 0.69 PDE3B (0.53) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL31069587 0.69 PDE3B (0.53) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL9638313 0.69 MAPT (0.60) KDM4ESMN1; SMN2MAPTMAPK1BACE1
SCHEMBL11192923 0.67 BACE1 (0.66) KDM4ESMN1; SMN2MAPTMAPK1BACE1
SCHEMBL26338303 0.67 CYP11B1 (0.43) KDM4ESMN1; SMN2MAPTBACE1ALDH1A1
SCHEMBL29402037 0.66 PTPN1 (0.57) KDM4ESMN1; SMN2MAPTMAPK1BACE1
SCHEMBL12325013 0.66 PTPN1 (0.57) KDM4ESMN1; SMN2MAPTMAPK1BACE1
SCHEMBL5551697 0.66 PTPN1 (0.57) KDM4ESMN1; SMN2MAPTMAPK1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324994-A4 TRICYCLIC COMPOUNDS AND USES THEREOF CALYX THERAPEUTICS INC (US) 2004-06-16 EP claimed
US-6723736-B2 FOR THERAPY INFLAMMATION, INFLAMMATORY DISEASES, IMMUNOLOGIC DISEASES AND OTHER DISEASES MEDIATED BY TUMOR NECROSIS FACTOR-ALPHA (TNF-ALPHA) AND/OR INTERLEUKIN 6 OR 10 AND/OR ENZYME CYCLOOXYGENASE-2 (COX-2) THERACOS, INC. 2004-04-20 US claimed
EP-1324994-A2 TRICYCLIC COMPOUNDS AND USES THEREOF Calyx Therapeutics, Inc. (US) 2003-07-09 EP claimed
US-20020077333-A1 Tricyclic compounds and uses thereof THERACOS, INC. 2002-06-20 US claimed
WO-2002030888-A2 TRICYCLIC COMPOUNDS AND USES THEREOF CALYX THERAPEUTICS, INC. (US) 2002-04-18 WO claimed

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-20020077333-A1 Tricyclic compounds and uses thereof IL6, TNF, IL2 NPY5R 4563/4885KDM4E 3276/4885SMN1; SMN2 4679/4885

“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.