SCHEMBL12289596

SCHEMBL12289596

O=c1cc(CN(CCO)Cc2ccccc2)[nH]c2nc(-c3ccccc3)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC1 Q13547 1/20 0.36
PARP1 P09874 1/20 0.36
ADORA3 P0DMS8 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL12289732 0.93 NPSR1 (0.46) TP53POLBHTTALDH1A1LMNA
SCHEMBL12289580 0.83 KMT2A (0.40) TP53ALDH1A1LMNAACHEMEN1
SCHEMBL11026286 0.81 NPSR1 (0.43) ALDH1A1NPSR1ADORA3GABRPGABRD
SCHEMBL12289615 0.76 NPSR1 (0.46) TP53HTTALDH1A1LMNAMEN1
SCHEMBL16938466 0.76 KDM4E (0.43) ALDH1A1NPSR1ADORA3GABRPGABRD
SCHEMBL11939828 0.76 LTA4H (0.39) ALDH1A1LMNANPSR1ADORA3GABRP
SCHEMBL11939863 0.76 MAPT (0.45) TP53HTTALDH1A1LMNAACHE
SCHEMBL12808507 0.75 ADORA3 (0.40) LMNAACHENPSR1ADORA3KDM4E
SCHEMBL12289547 0.74 LMNA (0.41) TP53HTTALDH1A1LMNAMEN1
SCHEMBL11939859 0.73 TP53 (0.39) TP53POLBALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242538-A1 PanK Modulators and Methods Using Same UNIV YALE (US) 2023-08-03 US disclosed
US-20230242538-A1 PanK Modulators and Methods Using Same UNIV YALE (US) 2023-08-03 US disclosed
WO-2021262786-A1 PANK MODULATORS AND METHODS USING SAME YALE UNIVERSITY (US) 2021-12-30 WO disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 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 (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-20230242538-A1 PanK Modulators and Methods Using Same PANK1, PANK2, PANK3 TP53 2046/4885POLB 1422/4885HTT 655/4885
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) FABP4, FABP1, FABP3 TP53 3851/4885POLB 4629/4885HTT 2177/4885

“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.