SCHEMBL3204310

SCHEMBL3204310

O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@@H]1C=C[C@H]2CC1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
ATM Q13315 1/20 0.57
TSHR P16473 2/20 0.51
ADAM17 P78536 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL3204323 1.00 KMT2A (0.64) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL3191341 0.94 KMT2A (0.57) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL3191335 0.94 KMT2A (0.57) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL3189148 0.90 TSHR (0.63) KMT2AMEN1ALDH1A1TSHRADAM17
SCHEMBL3189140 0.90 TSHR (0.63) KMT2AMEN1ALDH1A1TSHRADAM17
SCHEMBL3190562 0.86 L3MBTL1 (0.66) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL3192339 0.86 L3MBTL1 (0.70) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL3196821 0.86 L3MBTL1 (0.70) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL3198063 0.86 ALDH1A1 (0.58) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL3188970 0.86 KMT2A (0.56) KMT2AMEN1L3MBTL1ALDH1A1POLB

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 1676/4885L3MBTL1 3852/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 KMT2A 1756/4885MEN1 1676/4885L3MBTL1 3852/4885

“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.