SCHEMBL774806

SCHEMBL774806

COc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 2/20 0.55
NAMPT P43490 1/20 0.55
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
ABCC1 P33527 1/20 0.53
MCHR1 Q99705 2/20 0.52
HPGD P15428 2/20 0.52
SMO Q99835 2/20 0.51
APLNR P35414 2/20 0.51
BCL9 O00512 2/20 0.50
CTNNB1 P35222 2/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL773730 0.83 PLAU (0.62) SMN1; SMN2LMNAKMT2AMAPTKDM4E
SCHEMBL3199806 0.82 PTPN1 (0.67) SMN1; SMN2LMNAKMT2AMAPTKDM4E
SCHEMBL2176371 0.80 RAB9A (0.68) SMN1; SMN2KMT2AMAPTKDM4EMEN1
SCHEMBL775160 0.79 MAPT (0.56) SMN1; SMN2LMNAKMT2AMAPTKDM4E
SCHEMBL774860 0.79 RAB9A (0.64) SMN1; SMN2LMNAKMT2AMAPTKDM4E
SCHEMBL777653 0.79 MEN1 (0.64) SMN1; SMN2LMNAKMT2AMAPTKDM4E
SCHEMBL775158 0.78 ABL1 (0.61) SMN1; SMN2LMNAKMT2AMAPTKDM4E
SCHEMBL775028 0.77 MEN1 (0.54) SMN1; SMN2LMNAKMT2AMAPTKDM4E
SCHEMBL774620 0.77 KCNQ3 (0.59) SMN1; SMN2LMNAKMT2AMAPTKDM4E
SCHEMBL3209227 0.76 RAB9A (0.65) SMN1; SMN2LMNAKMT2AMAPTKDM4E

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-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
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 SMN1; SMN2 206/4885LMNA 751/4885KMT2A 3661/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 SMN1; SMN2 206/4885LMNA 751/4885KMT2A 3661/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 SMN1; SMN2 214/4885LMNA 756/4885KMT2A 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.