SCHEMBL4986522

SCHEMBL4986522

NC(C(=O)NCCc1ccccn1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
ATM Q13315 1/20 0.56
KMT2A Q03164 3/20 0.55
NPY1R P25929 1/20 0.54
RAB9A P51151 3/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 2/20 0.49
MAPK1 P28482 1/20 0.49
CNR1 P21554 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HSD11B1 P28845 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48

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
SCHEMBL5666551 0.86 HTT (0.53) HTTATMKMT2ARAB9ATAS1R3
SCHEMBL10558453 0.83 HTT (0.62) HTTATMKMT2ARAB9ATAS1R3
SCHEMBL1255605 0.81 POLB (0.67) HTTATMKMT2ANPY1RRAB9A
SCHEMBL7622303 0.80 GLS (0.41) HTTATMKMT2ANPY1RCNR1
SCHEMBL7622309 0.80 GLS (0.41) HTTATMKMT2ANPY1RCNR1
SCHEMBL10311684 0.80 HTT (0.64) HTTATMKMT2ARAB9ATAS1R3
SCHEMBL26310077 0.80 HTT (0.52) HTTATMKMT2ANPY1RRAB9A
SCHEMBL4984423 0.79 POLB (0.63) KMT2ACNR1
SCHEMBL4985404 0.79 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1CNR1
SCHEMBL1694984 0.79 RAB9A (0.62) HTTATMKMT2ARAB9ATAS1R3

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-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 WO 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN HTT 526/4885ATM 3042/4885KMT2A 3968/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 HTT 798/4885ATM 3376/4885KMT2A 4384/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 HTT 798/4885ATM 3376/4885KMT2A 4384/4885

“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.