SCHEMBL5312149

SCHEMBL5312149

O=c1c2ccc(F)cc2ncn1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
GRK2 P25098 5/20 0.60
GRK1 Q15835 2/20 0.60
MMP13 P45452 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GRK5 P34947 1/20 0.51
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL1500346 0.83 GRK2 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28738323 0.83 HDAC6 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13181831 0.83 GRK2 (0.60) GRK2GRK1MMP13SMN1; SMN2GRK5
SCHEMBL31742392 0.82 HTT (0.58) GRK2MMP13SMN1; SMN2
SCHEMBL14478795 0.82 PDE5A (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16210930 0.82 SMN1; SMN2 (0.64) HDAC1GRK2GRK1SMN1; SMN2GRK5
SCHEMBL29692294 0.82 SMN1; SMN2 (0.64) HDAC1GRK2GRK1SMN1; SMN2GRK5
SCHEMBL5427843 0.80 GRK2 (0.57) HDAC1GRK2GRK1MMP13SMN1; SMN2
SCHEMBL19911426 0.80 CYP11B1 (0.66) HDAC1HDAC8SMN1; SMN2LMNATNF
SCHEMBL18034688 0.79 GRK2 (0.56) GRK2GRK1MMP13SMN1; SMN2GRK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007053352-A2 PYRROLOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 WO disclosed
US-20070099911-A1 Pyrroloquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 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-20070099911-A1 Pyrroloquinolinone derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HDAC3 2042/4885HDAC4 2701/4885HDAC1 2479/4885

“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.