SCHEMBL774860

SCHEMBL774860

COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
NPC1 O15118 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
MAPT P10636 4/20 0.63
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
PLAU P00749 3/20 0.58
PARP1 P09874 1/20 0.57
PTPN1 P18031 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TRPV1 Q8NER1 1/20 0.55
POLB P06746 2/20 0.54
GPR17 Q13304 1/20 0.53

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
SCHEMBL3199806 0.90 PTPN1 (0.67) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3208835 0.89 RAB9A (0.65) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL677703 0.87 RAB9A (0.86) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL773730 0.81 PLAU (0.62) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL5943954 0.80 PTPN1 (0.76) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL22223646 0.80 PTPN1 (0.76) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL677770 0.80 RAB9A (1.00) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL775160 0.80 MAPT (0.56) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL774806 0.79 SMN1; SMN2 (0.56) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3208903 0.79 EGFR (0.48) RAB9AMEN1KMT2ANPC1SMN1; SMN2

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 RAB9A 2135/4885MEN1 40/4885KMT2A 3661/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 RAB9A 2135/4885MEN1 40/4885KMT2A 3661/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 RAB9A 2227/4885MEN1 26/4885KMT2A 3489/4885

“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.