SCHEMBL774442

SCHEMBL774442

CN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(-c4ccc(-c5ccccc5)cc4)c3)cn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.60
HDAC3 O15379 2/20 0.58
HDAC2 Q92769 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
PPARG P37231 1/20 0.56
KCNH2 Q12809 1/20 0.55
MCHR1 Q99705 1/20 0.55
KCNQ3 O43525 3/20 0.50
KCNQ2 O43526 3/20 0.50
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL774365 0.89 MAPT (0.65) RAB9ASMN1; SMN2PPARGKCNQ3KCNQ2
SCHEMBL773064 0.85 MAPK7 (0.56) MCHR1KCNQ3KCNQ2
SCHEMBL1140474 0.81 KCNQ3 (0.59) RAB9AL3MBTL1HDAC3HDAC2KCNH2
SCHEMBL774990 0.81 KCNQ3 (0.59) RAB9ASMN1; SMN2KCNQ3KCNQ2MAPT
SCHEMBL774698 0.81 KCNQ3 (0.77) KCNQ3KCNQ2
SCHEMBL1140704 0.80 KCNQ3 (0.56) RAB9AL3MBTL1SMN1; SMN2PPARGKCNH2
SCHEMBL1140464 0.80 KCNQ3 (0.56) RAB9AL3MBTL1HDAC2SMN1; SMN2MCHR1
SCHEMBL12324279 0.80 RAB9A (0.64) RAB9AL3MBTL1HDAC3HDAC2SMN1; SMN2
SCHEMBL1140406 0.79 MAPT (0.62) RAB9ASMN1; SMN2PPARGKCNH2KCNQ3
SCHEMBL1140439 0.79 MAPT (0.62) RAB9ASMN1; SMN2PPARGKCNQ3KCNQ2

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 2135/4885L3MBTL1 3706/4885HDAC3 1498/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 RAB9A 2135/4885L3MBTL1 3706/4885HDAC3 1498/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 RAB9A 2227/4885L3MBTL1 3521/4885HDAC3 1715/4885

“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.