SCHEMBL10658782

SCHEMBL10658782

COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 1.00
▸ MAOA P21397 7/20 1.00
▸ F3 P13726 2/20 0.75
▸ MAPT P10636 4/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ RAB9A P51151 2/20 0.68
▸ NPC1 O15118 2/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ XDH P47989 2/20 0.68
▸ BCHE P06276 1/20 0.68
▸ CYP1B1 Q16678 1/20 0.68
▸ P4HB P07237 1/20 0.68
▸ CALM1 P0DP23 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ KRAS P01116 2/20 0.67
▸ LMNA P02545 1/20 0.66

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
SCHEMBL10658787 1.00 MAOB (1.00) MAOBMAOAF3MAPTALDH1A1
SCHEMBL14435873 1.00 MAOB (1.00) MAOBMAOAF3MAPTALDH1A1
SCHEMBL31326032 1.00 MAOB (1.00) MAOBMAOAF3MAPTALDH1A1
SCHEMBL6733848 0.88 MAOB (0.85) MAOBMAOAMAPTALDH1A1BCHE
SCHEMBL6733854 0.88 MAOB (0.85) MAOBMAOAMAPTALDH1A1BCHE
SCHEMBL8160140 0.88 MAOB (0.78) MAOBMAOAF3MAPTALDH1A1
SCHEMBL14318106 0.88 MAOB (0.78) MAOBMAOAMAPTALDH1A1RAB9A
SCHEMBL7194437 0.88 MAOB (0.78) MAOBMAOAF3MAPTALDH1A1
SCHEMBL7194081 0.88 MAOB (0.78) MAOBMAOAF3MAPTALDH1A1
4,4'-Dimethoxychalcone SCHEMBL978243 0.87 F3 (1.00) MAOBMAOAF3MAPTALDH1A1

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
EP-3333153-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2018-06-13 — — EP disclosed
US-20140171503-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER HUMAN SERVICES (US) 2014-06-19 — — US disclosed
WO-2012174436-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-12-20 — — WO disclosed
US-4719174-A USING ABSORPTIVE COMPOUND WHICH RELEASES ELECTRONS UPON EXPOSURE FUJI PHOTO FILM CO., LTD. (JP) 1988-01-12 — — US disclosed
US-4607006-A Silver halide photographic light-sensitive material containing non-spectral sensitizing electron donative silver halide adsorptive compound FUJI PHOTO FILM CO., LTD. (JP) 1986-08-19 — — 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 (1 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-20140171503-A1 NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER AR, NCOA1, NR5A1 MAOB 3966/4885MAOA 4067/4885F3 2142/4885

“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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