Sugi Predict

Sugi Predict / Compounds / SCHEMBL3199820

SCHEMBL3199820

SCHEMBL3199820

O=C1[C@@H]2[C@@H]3CC[C@@H]([C@H]4C[C@H]43)[C@@H]2C(=O)N1c1ccc(Cl)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ HCAR1 Q9BXC0 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ AR P10275 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ GRM1 Q13255 1/20 0.34

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
SCHEMBL3199809 1.00 CYP1A2 (0.37) CYP1A2CYP2A6HCAR1L3MBTL1GAA
SCHEMBL3199826 1.00 CYP1A2 (0.37) CYP1A2CYP2A6HCAR1L3MBTL1GAA
SCHEMBL3196023 0.83 HTR6 (0.40) L3MBTL1GAAARMEN1KMT2A
SCHEMBL3196030 0.83 HTR6 (0.40) L3MBTL1GAAARMEN1KMT2A
SCHEMBL3196033 0.83 HTR6 (0.40) L3MBTL1GAAARMEN1KMT2A
SCHEMBL3200843 0.81 MEN1 (0.52) GAAMEN1KMT2AALDH1A1GRM4
SCHEMBL3191165 0.81 POLB (0.54) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL4592017 0.81 MEN1 (0.52) GAAMEN1KMT2AALDH1A1GRM4
SCHEMBL3191151 0.81 POLB (0.54) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL3200834 0.81 MEN1 (0.52) GAAMEN1KMT2AALDH1A1GRM4

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-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-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 CYP1A2 2581/4885CYP2A6 1635/4885HCAR1 71/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 CYP1A2 2581/4885CYP2A6 1635/4885HCAR1 71/4885

“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.