SCHEMBL3520099

SCHEMBL3520099

O=C(NO)c1ccc(-n2cnc(OCc3ccccc3)c(Br)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.45
SMPD1 P17405 2/20 0.44
HDAC1 Q13547 12/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
HDAC4 P56524 1/20 0.41
KCNH2 Q12809 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
SCHEMBL3522703 0.90 NR4A1 (0.48)
SCHEMBL3524455 0.88 FGFR1 (0.50)
SCHEMBL3522454 0.88 PARP10 (0.50)
SCHEMBL3521536 0.82 MAPT (0.39) HDAC1
SCHEMBL3526646 0.81 MAOB (0.43) KCNH2
SCHEMBL3526023 0.81 MAPT (0.42)
SCHEMBL4381612 0.81 MAPK14 (0.53) HDAC6SMPD1HDAC1HDAC8HDAC2
SCHEMBL5267895 0.81 SIGMAR1 (0.45)
SCHEMBL3525381 0.81 ALDH1A1 (0.51)
Hydrochloric Acid SCHEMBL3521848 0.80 SIGMAR1 (0.44)

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-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 HDAC6 991/4885SMPD1 622/4885HDAC1 1055/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 HDAC6 833/4885SMPD1 383/4885HDAC1 1067/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 HDAC6 991/4885SMPD1 622/4885HDAC1 1055/4885

“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.