SCHEMBL17844923

SCHEMBL17844923

O=c1cc(C(F)(F)F)c2c(o1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
CYP1A2 P05177 3/20 0.46
USP2 O75604 2/20 0.46
HTT P42858 2/20 0.46
CRHBP P24387 1/20 0.46
CYP2C19 P33261 1/20 0.46
CRHR2 Q13324 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
GPR35 Q9HC97 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 3/20 0.41
AR P10275 4/20 0.41
MCL1 Q07820 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 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
SCHEMBL9802756 0.81 PIM1 (0.49) MEN1KMT2ACASP1CASP7CYP1A2
SCHEMBL17861313 0.72 MAOA (0.59) MEN1KMT2ACASP1CASP7HTT
SCHEMBL13598105 0.71 MAOA (0.45) KMT2ACASP1CASP7CYP1A2HTT
SCHEMBL17844950 0.69 MAOA (0.35) MEN1KMT2ACASP1CASP7CYP1A2
SCHEMBL7358995 0.69 MAOA (0.44) KMT2ACASP1CASP7CYP1A2HTT
SCHEMBL20888324 0.67 MAOA (0.45) MEN1KMT2ACASP1CASP7USP2
SCHEMBL20871939 0.66 MAOA (0.41) MEN1KMT2ACASP1CASP7HTT
SCHEMBL20871940 0.66 MAOA (0.41) MEN1KMT2ACASP1CASP7HTT
SCHEMBL5233514 0.65 AR (0.93) MEN1KMT2ACASP1CASP7CYP1A2
SCHEMBL8926941 0.64 MAOA (0.43) MEN1KMT2ACASP1CASP7USP2

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
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
EP-3233827-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 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 (2 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-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY MRPL21, ABCG2, CLPP MEN1 4179/4885KMT2A 4638/4885CASP1 414/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP MEN1 4179/4885KMT2A 4638/4885CASP1 414/4885

“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.