SCHEMBL3190424

SCHEMBL3190424

O=C1C2C3C=CC(C3)C2C(=O)N1c1ccccc1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MAPT P10636 3/20 0.54
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ F8 P00451 1/20 0.41
▸ F5 P12259 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL3190327 0.86 MAPT (0.67) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3187065 0.84 KMT2A (0.63) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3196858 0.84 MEN1 (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3190054 0.80 MEN1 (0.58) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3189019 0.80 NPC1 (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3192188 0.80 MAOA (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3186757 0.75 MEN1 (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9687632 0.74 MAPT (0.67) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3179418 0.73 USP2 (0.58) MAPTALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL4590924 0.73 USP2 (0.58) MAPTALDH1A1HTTSMN1; SMN2TSHR

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 MEN1 1676/4885KMT2A 1756/4885MAPT 4124/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 MEN1 1676/4885KMT2A 1756/4885MAPT 4124/4885

“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.

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