SCHEMBL4030712

SCHEMBL4030712

Cc1c(C(=O)N(C)C)cc(C(=O)NC(C)c2ccc(Cl)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.45
NOTUM Q6P988 1/20 0.42
ACACB O00763 2/20 0.42
PTGER4 P35408 4/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KLRK1 P26718 1/20 0.40
MICA Q29983 1/20 0.40
RAET1L Q5VY80 1/20 0.40
ELANE P08246 4/20 0.40
PTGDR Q13258 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PPARG P37231 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL11894963 0.92 CNR1 (0.51) NOTUMACACBPTGER4CNR1CNR2
SCHEMBL5757651 0.84 ELANE (0.54) CCR1NOTUMACACBPTGER4CNR1
SCHEMBL5441769 0.81 PLA2G10 (0.48) CCR1ACACBPTGER4CNR1CNR2
SCHEMBL4022781 0.79 NOTUM (0.63) NOTUMELANEALDH1A1CYP1A2KMT2A
SCHEMBL4026342 0.79 CCR1 (0.45) CCR1NOTUMCNR1ELANEALDH1A1
SCHEMBL4024041 0.78 CCR1 (0.54) CCR1NOTUMELANEALDH1A1MEN1
SCHEMBL561192 0.78 CNR1 (0.50) NOTUMACACBPTGER4CNR1CNR2
SCHEMBL4021451 0.78 ELANE (0.56) CCR1NOTUMCNR1CNR2ELANE
SCHEMBL31490266 0.78 CNR1 (0.50) NOTUMACACBPTGER4CNR1CNR2
SCHEMBL2275896 0.77 CCR1 (0.48) CCR1NOTUMELANEALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2023-01-24 US disclosed
US-20210069165-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. (US) 2021-03-11 US disclosed
US-10092552-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2018-10-09 US disclosed
US-20170224706-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF GENOA PHARMACEUTICALS, INC. 2017-08-10 US disclosed
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF GENOA PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
EP-1663974-B1 2-PYRIDONE DERIVATIVES AS NETROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2009-01-14 EP disclosed
US-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2007-02-22 US disclosed
EP-1663974-A1 2-PYRIDONE DERIVATIVES AS NETROPHIL ELASTASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026124-A1 2-PYRIDONE DERIVATIVES AS NETROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2005-03-24 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 (6 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-20210069165-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK CCR1 1988/4885NOTUM 4443/4885ACACB 2424/4885
US-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use SERPINB1, ELANE, SERPINE1 CCR1 211/4885NOTUM 3343/4885ACACB 3948/4885
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK CCR1 1988/4885NOTUM 4443/4885ACACB 2424/4885
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK CCR1 1988/4885NOTUM 4443/4885ACACB 2424/4885
US-20170224706-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK CCR1 1988/4885NOTUM 4443/4885ACACB 2424/4885
US-10092552-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK CCR1 1988/4885NOTUM 4443/4885ACACB 2424/4885

“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.