SCHEMBL774365

SCHEMBL774365

O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
LMNA P02545 1/20 0.65
HTT P42858 1/20 0.65
RAB9A P51151 2/20 0.63
KCNQ3 O43525 1/20 0.62
KCNQ2 O43526 1/20 0.62
DGAT1 O75907 8/20 0.60
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 1/20 0.59
CNR2 P34972 2/20 0.58
STAT3 P40763 1/20 0.57
PPARG P37231 1/20 0.56
MTOR P42345 1/20 0.56
NPC1 O15118 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
SCHEMBL774442 0.89 RAB9A (0.65) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL1140406 0.88 MAPT (0.62) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL1140439 0.88 MAPT (0.62) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL1140259 0.85 MAPT (0.58) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL1140823 0.85 MAPT (0.58) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL3919958 0.82 MAPT (0.66) MAPTSMN1; SMN2LMNAHTTKCNQ3
SCHEMBL2169030 0.81 MAPT (0.78) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL3990821 0.81 RAB9A (0.62) MAPTSMN1; SMN2LMNAHTTRAB9A
SCHEMBL774698 0.81 KCNQ3 (0.77) KCNQ3KCNQ2
SCHEMBL12323377 0.79 MAPT (0.65) MAPTSMN1; SMN2LMNAHTTKCNQ3

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 MAPT 2839/4885SMN1; SMN2 206/4885LMNA 751/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 MAPT 2839/4885SMN1; SMN2 206/4885LMNA 751/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 MAPT 3315/4885SMN1; SMN2 214/4885LMNA 756/4885

“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.