SCHEMBL3191142

SCHEMBL3191142

CSc1cccc(N2C(=O)C3CC=CCC3C2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CASP6 P55212 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALOX5 P09917 1/20 0.45

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
SCHEMBL5922641 0.75 CA9 (0.66) L3MBTL1GAANPSR1ALDH1A1MAPK1
SCHEMBL11835741 0.74 MGLL (0.64) ALDH1A1TSHRHPGDHTTATM
SCHEMBL9240440 0.73 L3MBTL1 (1.00) L3MBTL1GAAALDH1A1MAPK1KDM4E
SCHEMBL3191637 0.71 CA9 (0.49) L3MBTL1GAAALDH1A1TSHRHPGD
SCHEMBL13484188 0.69 ALDH1A1 (0.44) L3MBTL1GAAALDH1A1HPGDHTT
SCHEMBL16322903 0.69 ALOX5 (0.47) L3MBTL1GAANPSR1ALDH1A1MAPK1
SCHEMBL12287245 0.68 NPSR1 (0.68) NPSR1ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL11818354 0.67 ALOX5 (0.51) GAAALDH1A1KDM4ETSHRHPGD
SCHEMBL8103666 0.67 ALOX5 (0.42) GAAALDH1A1MAPK1KDM4ETSHR
SCHEMBL8099398 0.67 ALOX5 (0.42) L3MBTL1GAAALDH1A1KDM4ETSHR

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
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 — — US claimed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 — — US claimed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 — — 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-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 L3MBTL1 3852/4885GAA 4211/4885NPSR1 2435/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 L3MBTL1 3852/4885GAA 4211/4885NPSR1 2435/4885

“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.

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