SCHEMBL4986517

SCHEMBL4986517

NC(=O)c1cccnc1CCNC(=O)[CH]c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MMP1 P03956 1/20 0.40
POLB P06746 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
RECQL P46063 1/20 0.40
RPS6KB1 P23443 1/20 0.39
PARP1 P09874 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5666546 0.86 KDM4E (0.45) SYKALDH1A1HSD17B10KDM4EHPGD
SCHEMBL8189085 0.75 SIRT2 (0.47) ALDH1A1SIRT2
SCHEMBL4985396 0.74 MMP1 (0.45) ALDH1A1KDM4EHPGDMMP1POLB
SCHEMBL2129712 0.74 KDM4E (0.57) SYKALDH1A1HSD17B10KDM4EHPGD
SCHEMBL30666151 0.73 PARP1 (0.51) SYKALDH1A1HSD17B10KDM4EHPGD
SCHEMBL62707 0.72 PARP1 (0.50) SYKALDH1A1HSD17B10KDM4EHPGD
SCHEMBL732196 0.72 PARP1 (0.50) SYKALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4182425 0.72 SMN1; SMN2 (0.48) SYKALDH1A1KDM4ERPS6KB1PARP1
SCHEMBL2497122 0.70 KDM4E (0.56) SYKALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4201387 0.70 KMT2A (0.47) ALDH1A1HPGDMMP1POLBMMP2

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 SYK 3799/4885ALDH1A1 2807/4885HSD17B10 697/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 SYK 3331/4885ALDH1A1 3299/4885HSD17B10 692/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 SYK 3331/4885ALDH1A1 3299/4885HSD17B10 692/4885

“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.