SCHEMBL12797124

SCHEMBL12797124

CCOC(=O)c1nc2c(s1)-c1ccccc1CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 6/20 0.55
HPGD P15428 6/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
ATM Q13315 3/20 0.48
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
NOTUM Q6P988 1/20 0.41
DHODH Q02127 2/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40

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
SCHEMBL12797250 0.85 KDM4E (0.40) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL14172792 0.85 KDM4E (0.42) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL12797330 0.84 KDM4E (0.41) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL14172805 0.84 KDM4E (0.41) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL14172807 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL14172783 0.83 KDM4E (0.41) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL14178955 0.82 KDM4E (0.39) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL14172806 0.81 ACHE (0.47) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL14172855 0.80 MMP2 (0.47) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL12797121 0.80 NOTUM (0.57) ALDH1A1KDM4EHPGDL3MBTL1MAPT

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
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 US disclosed
US-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-06-05 US disclosed
WO-2008039520-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-04-03 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 (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-20080132513-A1 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NOD2, RORC, NLRP3 ALDH1A1 2365/4885KDM4E 1715/4885HPGD 911/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 ALDH1A1 644/4885KDM4E 2836/4885HPGD 373/4885

“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.