SCHEMBL1320071

SCHEMBL1320071

C[C@@H](NC(=O)c1ccc(N)cc1)c1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGDS O60760 2/20 0.56
PDE2A O00408 2/20 0.53
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
NPC1 O15118 2/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
F7 P08709 2/20 0.49
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49

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
SCHEMBL12121924 0.88 MMP9 (0.64) MMP9MEN1KMT2AHPGDSPDE2A
SCHEMBL1318145 0.87 HPGDS (0.60) MMP9MEN1KMT2AHPGDSPDE2A
SCHEMBL1320543 0.85 MEN1 (0.64) MMP9MEN1KMT2AHPGDSROCK2
SCHEMBL4925825 0.84 MEN1 (0.55) MMP9MEN1KMT2AHPGDSPDE2A
SCHEMBL29375958 0.84 MMP9 (0.56) MMP9MEN1KMT2AHPGDSPDE2A
SCHEMBL10763894 0.82 ALDH1A1 (0.71) MEN1KMT2AROCK2ROCK1NPC1
SCHEMBL4285282 0.82 ALDH1A1 (0.71) MEN1KMT2AROCK2ROCK1NPC1
SCHEMBL10761711 0.82 ALDH1A1 (0.71) MEN1KMT2AROCK2ROCK1NPC1
SCHEMBL4925844 0.82 ALOX5 (0.60) MMP9MEN1KMT2AHPGDSPDE2A
SCHEMBL3102386 0.82 ROCK2 (0.72) MMP9HPGDSROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-11-03 US disclosed
US-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-11-03 US disclosed
US-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-11-03 US disclosed
WO-2010022355-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES PURDUE RESEARCH FOUNDATION (US) 2010-02-25 WO disclosed
WO-2010022355-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES PURDUE RESEARCH FOUNDATION (US) 2010-02-25 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 (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-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES SARS1, ACE2, ACE MMP9 974/4885MEN1 4233/4885KMT2A 3537/4885

“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.