SCHEMBL1644303

SCHEMBL1644303

O=C(O)c1ccc2nc(N3CCCCC3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
TP53 P04637 1/20 0.51
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
POLB P06746 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
IP6K1 Q92551 1/20 0.46
IP6K3 Q96PC2 1/20 0.46
IP6K2 Q9UHH9 1/20 0.46
MCHR1 Q99705 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
ALOX12 P18054 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1644052 0.98 HRH3 (0.54) HRH3TP53KDM4EGAAPOLB
SCHEMBL1643366 0.87 TP53 (0.61) HRH3TP53POLBRXFP1HDAC3
SCHEMBL1645114 0.86 PIK3CA (0.58) HRH3KDM4EGAAPOLBHDAC3
SCHEMBL1643347 0.85 TP53 (0.60) HRH3TP53POLBHDAC3HDAC2
Hydrochloric Acid SCHEMBL18109905 0.85 HTR3A (0.60) HRH3TP53KDM4EHDAC3HDAC2
SCHEMBL20176398 0.83 KDM4E (0.53) HRH3TP53KDM4EGAAHDAC3
SCHEMBL4307874 0.83 HRH3 (0.52) HRH3TP53KDM4EHDAC3HDAC2
SCHEMBL1285530 0.83 HRH3 (0.52) HRH3TP53KDM4EHDAC3HDAC2
SCHEMBL1285141 0.81 HRH3 (0.53) HRH3TP53KDM4EHDAC3HDAC2
SCHEMBL4556887 0.80 PTGER4 (0.55) HRH3TP53HPGDMEN1KMT2A

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
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO 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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HRH3 1792/4885TP53 1933/4885KDM4E 514/4885
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HRH3 556/4885TP53 3973/4885KDM4E 4075/4885

“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.