SCHEMBL773275

SCHEMBL773275

O=C(NCCN1CCCC1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
CACNA1G O43497 7/20 0.60
HPGD P15428 1/20 0.59
CD274 Q9NZQ7 1/20 0.59
ALDH1A1 P00352 1/20 0.57
APP P05067 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
ERN1 O75460 1/20 0.52

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
SCHEMBL8150803 0.84 HPGD (0.76) KMT2AMEN1HPGDCD274ALDH1A1
SCHEMBL774938 0.83 ERN1 (0.70) KMT2AMEN1CACNA1GHPGDCD274
SCHEMBL3224811 0.81 CA1 (0.56) HPGD
SCHEMBL7238389 0.79 HPGD (0.67) KMT2AMEN1HPGDCD274ALDH1A1
SCHEMBL1417463 0.79 APP (0.55) KMT2AMEN1CACNA1GHPGDCD274
SCHEMBL13423690 0.79 GRIN1 (0.54) HPGDDRD2DRD4DRD3
SCHEMBL14899242 0.78 ALDH1A1 (0.65) KMT2AMEN1CACNA1GHPGDALDH1A1
SCHEMBL3211250 0.78 HIF1A (0.51) KMT2AMEN1HPGDCD274DRD2
SCHEMBL14454759 0.78 HPGD (0.66) KMT2AMEN1HPGDCD274ALDH1A1
SCHEMBL1381550 0.77 ALDH1A1 (0.70) KMT2AMEN1HPGDCD274ALDH1A1

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
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US claimed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US claimed
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP claimed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US claimed
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US disclosed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US disclosed
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP disclosed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 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-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 KMT2A 3661/4885MEN1 40/4885CACNA1G 4440/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 KMT2A 3661/4885MEN1 40/4885CACNA1G 4440/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 KMT2A 3489/4885MEN1 26/4885CACNA1G 4363/4885

“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.