SCHEMBL6678434

SCHEMBL6678434

CC1OOc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PARP1 P09874 1/20 0.34
ATM Q13315 1/20 0.32
ABCB1 P08183 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL3075879 0.77 MAOA (0.42) MAOAMAOBATMMEN1KMT2A
SCHEMBL329531 0.71 MAOA (0.38) MAOAMAOBATMMEN1KMT2A
SCHEMBL3205774 0.71 MAOA (0.38) MAOAMAOBATMMEN1KMT2A
SCHEMBL3195757 0.71 MAOA (0.38) MAOAMAOBATMHDAC3HDAC4
SCHEMBL329445 0.71 MAOA (0.38) MAOAMAOBATMMEN1KMT2A
SCHEMBL446184 0.71 MAOA (0.38) MAOAMAOBATMHDAC3HDAC4
SCHEMBL8468871 0.71 MAOA (0.48) MAOAMAOBATMMEN1KMT2A
SCHEMBL5807470 0.71 MAOA (0.34) MAOAMAOB
SCHEMBL10994314 0.70 MAOA (0.37) MAOAMAOBATM
SCHEMBL5804260 0.68 MAOA (0.35) MAOAMAOBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766898-B2 Therapeutic compound for pain and synthesis thereof JANSSEN PHARMACEUTICA NV (BE) 2020-09-08 US claimed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed
EP-0322187-A3 CONDENSATION POLYMER CONTAINING THE RESIDUE OF A BENZODIOXYLMETHINE COMPOUND AND SHAPED ARTICLES PRODUCED THEREFROM EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-08-09 EP disclosed
EP-0322187-A2 Condensation polymer containing the residue of a benzodioxylmethine compound and shaped articles produced therefrom EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-06-28 EP disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 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-10766898-B2 Therapeutic compound for pain and synthesis thereof OPRL1, HCAR3, HDAC3 MAOA 1983/4885MAOB 1813/4885PARP1 2994/4885

“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.