SCHEMBL3198063

SCHEMBL3198063

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

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 1/20 0.54
ATM Q13315 1/20 0.54
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4591442 1.00 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL3198077 1.00 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL3204323 0.86 KMT2A (0.64) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL3204310 0.86 KMT2A (0.64) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL3192332 0.82 L3MBTL1 (0.70) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL3188970 0.82 KMT2A (0.56) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL3192339 0.82 L3MBTL1 (0.70) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL4591027 0.82 L3MBTL1 (0.66) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL3190562 0.82 L3MBTL1 (0.66) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL3196821 0.82 L3MBTL1 (0.70) ALDH1A1KMT2AMEN1L3MBTL1POLB

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 ALDH1A1 3191/4885KMT2A 1756/4885MEN1 1676/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ALDH1A1 3191/4885KMT2A 1756/4885MEN1 1676/4885

“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.