SCHEMBL3192188

SCHEMBL3192188

O=C1C2C3C=CC(C3)C2C(=O)N1c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ IDH1 O75874 1/20 0.45
▸ XDH P47989 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3189019 0.88 NPC1 (0.53) MAOBALDH1A1HTTKMT2AMAPT
SCHEMBL3180761 0.85 GRM5 (0.59) MAOBALDH1A1KMT2ANPSR1MEN1
SCHEMBL3187762 0.84 TSHR (0.51) MAOAMAOBKMT2ANPSR1MEN1
SCHEMBL3186963 0.84 KMT2A (0.48) MAOAMAOBALDH1A1HTTKMT2A
SCHEMBL3204365 0.81 KMT2A (0.47) ALDH1A1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL3190424 0.80 MEN1 (0.55) ALDH1A1HTTKMT2AMAPTRAB9A
SCHEMBL3179418 0.77 USP2 (0.58) ALDH1A1HTTMAPTNPSR1SMN1; SMN2
SCHEMBL4590924 0.77 USP2 (0.58) ALDH1A1HTTMAPTNPSR1SMN1; SMN2
SCHEMBL18827744 0.75 KMT2A (0.60) ALDH1A1KMT2AMAPTNPSR1MEN1
SCHEMBL18827743 0.75 KMT2A (0.60) ALDH1A1KMT2AMAPTNPSR1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOA 4832/4885MAOB 4770/4885ALDH1A1 3191/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 MAOA 4832/4885MAOB 4770/4885ALDH1A1 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.

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