SCHEMBL2680876

SCHEMBL2680876

NC(=O)C=CC(=O)Nc1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.64
MMP2 P08253 4/20 0.64
MMP9 P14780 4/20 0.64
EGFR P00533 1/20 0.64
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
HTT P42858 3/20 0.60
GAA P10253 1/20 0.60
LMNA P02545 2/20 0.56
MCL1 Q07820 1/20 0.56
CYP1A2 P05177 2/20 0.56
HPGD P15428 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
CASP3 P42574 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
PKM P14618 2/20 0.54

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
SCHEMBL11296246 1.00 MMP1 (0.64) MMP1MMP2MMP9EGFRALDH1A1
SCHEMBL2680872 1.00 MMP1 (0.64) MMP1MMP2MMP9EGFRALDH1A1
SCHEMBL5086029 0.87 ALDH1A1 (0.70) MMP1MMP2MMP9ALDH1A1MAPT
SCHEMBL7814579 0.84 MMP1 (0.71) MMP1MMP2MMP9EGFRALDH1A1
SCHEMBL30764101 0.84 MMP1 (0.71) MMP1MMP2MMP9EGFRALDH1A1
SCHEMBL7814581 0.84 MMP1 (0.71) MMP1MMP2MMP9EGFRALDH1A1
SCHEMBL5177059 0.82 MMP1 (0.65) MMP1MMP2MMP9ALDH1A1MAPT
SCHEMBL5176144 0.82 MMP1 (0.65) MMP1MMP2MMP9ALDH1A1MAPT
SCHEMBL5176155 0.82 MMP1 (0.65) MMP1MMP2MMP9ALDH1A1MAPT
SCHEMBL11842713 0.81 MMP1 (0.66) MMP1MMP2MMP9EGFRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906945-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2014-12-09 US disclosed
US-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-10 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 (1 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-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System CLPP, TFPI, SI MMP1 629/4885MMP2 247/4885MMP9 2480/4885

“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.