SCHEMBL2645244

SCHEMBL2645244

CC(=O)c1cccc(NC(=O)CCCCl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.66
ALDH1A1 P00352 7/20 0.66
MEN1 O00255 4/20 0.66
HTT P42858 2/20 0.66
LMNA P02545 1/20 0.66
RAB9A P51151 2/20 0.63
PARP1 P09874 1/20 0.62
PARP10 Q53GL7 1/20 0.62
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
HPGD P15428 1/20 0.56
GAA P10253 1/20 0.56
TP53 P04637 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CYP2D6 P10635 1/20 0.55
NPC1 O15118 2/20 0.55

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
SCHEMBL1925261 0.91 KMT2A (0.62) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL5974722 0.91 PARP1 (0.73) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL11989153 0.89 KMT2A (0.71) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL11989152 0.89 KMT2A (0.71) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL29951290 0.85 KMT2A (0.71) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL6150732 0.85 PARP1 (0.74) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL29951884 0.85 KMT2A (0.76) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL27861904 0.84 KMT2A (0.60) KMT2AALDH1A1MEN1HTTRAB9A
SCHEMBL14567079 0.84 KMT2A (0.88) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL17376722 0.83 HDAC3 (0.73) KMT2AALDH1A1MEN1RAB9AMAPT

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
US-6969716-B2 5-phenyl[1,2,4]triazines as ligands for GABA-A α2/α3 receptors for treating anxiety or depression MERCK SHARP & DOHME LTD. 2005-11-29 US disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 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-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 KMT2A 1146/4885ALDH1A1 260/4885MEN1 4325/4885

“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.