SCHEMBL3187261

SCHEMBL3187261

O=C1[C@@H]2[C@@H]3CC[C@@H]([C@@H]4C[C@@H]43)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
ADRA2A P08913 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HSP90AA1 P07900 1/20 0.45
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ADCY2 Q08462 1/20 0.43
RAD51 Q06609 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KAT2B Q92831 2/20 0.41
PIN1 Q13526 1/20 0.41
LMNA P02545 3/20 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
SCHEMBL3187266 1.00 KMT2A (0.47) KMT2AMEN1GAAADRA2AALDH1A1
SCHEMBL3187274 1.00 KMT2A (0.47) KMT2AMEN1GAAADRA2AALDH1A1
SCHEMBL3199481 0.87 ADAM17 (0.50) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL3199494 0.87 ADAM17 (0.50) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL3199500 0.87 ADAM17 (0.50) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL3187194 0.87 ALDH1A1 (0.42) ALDH1A1ALOX15KDM4EMAPTRAD51
SCHEMBL3187177 0.87 ALDH1A1 (0.42) ALDH1A1ALOX15KDM4EMAPTRAD51
SCHEMBL3187187 0.87 ALDH1A1 (0.42) ALDH1A1ALOX15KDM4EMAPTRAD51
SCHEMBL3194451 0.84 SMN1; SMN2 (0.54) KMT2AMEN1GAAADRA2AALDH1A1
SCHEMBL3194443 0.84 SMN1; SMN2 (0.54) KMT2AMEN1GAAADRA2AALDH1A1

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-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 claimed
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 KMT2A 1756/4885MEN1 1676/4885GAA 4211/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 KMT2A 1756/4885MEN1 1676/4885GAA 4211/4885

“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.