SCHEMBL4985396

SCHEMBL4985396

NC(=O)c1cc(CCNC(=O)[CH]c2ccccc2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.45
MMP2 P08253 4/20 0.45
MMP9 P14780 4/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 3/20 0.44
NR3C2 P08235 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
ARG1 P05089 1/20 0.39
HTT P42858 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL5664957 0.86 NPC1 (0.42) MMP1MMP2MMP9POLBRECQL
SCHEMBL5007785 0.76 EGFR (0.41) MMP1MMP2MMP9NPC1RAB9A
SCHEMBL4986517 0.74 SYK (0.42) MMP1MMP2MMP9POLBRECQL
SCHEMBL5602996 0.73 ALDH1A1 (0.69) MMP1MMP2MMP9POLBRECQL
SCHEMBL4045258 0.71 NR3C2 (0.41) NR3C2KDM4E
SCHEMBL17440067 0.71 PLA2G2A (0.51) NR3C2KDM5AKDM5B
SCHEMBL9339179 0.71 LOXL2 (0.44) RECQLMAPTNR3C2ALDH1A1TAAR1
SCHEMBL16594468 0.70 NR2F2 (0.43) NR3C2LMNASMN1; SMN2KDM4EHTT
SCHEMBL4201387 0.70 KMT2A (0.47) MMP1MMP2MMP9POLBRECQL
SCHEMBL3129466 0.70 CYP4F2 (0.42) NR3C2

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 MMP1 4010/4885MMP2 2546/4885MMP9 3864/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 MMP1 3817/4885MMP2 2655/4885MMP9 3421/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 MMP1 3817/4885MMP2 2655/4885MMP9 3421/4885

“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.