SCHEMBL3190209

SCHEMBL3190209

O=C1[C@@H]2[C@@H]3C[C@@H]([C@@H]4C[C@@H]43)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 3/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13483329 1.00 TSHR (0.42) TSHRATMALDH1A1HSD17B10POLB
SCHEMBL3192400 1.00 TSHR (0.42) TSHRATMALDH1A1HSD17B10POLB
SCHEMBL3192393 1.00 TSHR (0.42) TSHRATMALDH1A1HSD17B10POLB
SCHEMBL3190222 1.00 TSHR (0.42) TSHRATMALDH1A1HSD17B10POLB
SCHEMBL3190214 1.00 TSHR (0.42) TSHRATMALDH1A1HSD17B10POLB
SCHEMBL3180302 0.93 ALDH1A1 (0.40) TSHRATMALDH1A1HSD17B10POLB
SCHEMBL3180308 0.93 ALDH1A1 (0.40) TSHRATMALDH1A1HSD17B10POLB
SCHEMBL3180298 0.93 ALDH1A1 (0.40) TSHRATMALDH1A1HSD17B10POLB
SCHEMBL3187253 0.84 ATM (0.58) ATMALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL3187244 0.84 ATM (0.58) ATMALDH1A1SMN1; SMN2MAPTMEN1

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 TSHR 133/4885ATM 1135/4885ALDH1A1 3191/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 TSHR 133/4885ATM 1135/4885ALDH1A1 3191/4885

“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.