SCHEMBL5658966

SCHEMBL5658966

COc1cc2c(C(=O)O)ccc(F)c2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
PABPC1 P11940 1/20 0.45
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NNMT P40261 1/20 0.41
LMNA P02545 2/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
SORT1 Q99523 1/20 0.39
EGFR P00533 1/20 0.39
ERN1 O75460 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
DHODH Q02127 2/20 0.38
SIRT6 Q8N6T7 1/20 0.37
FABP4 P15090 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
SCHEMBL28134501 0.81 NNMT (0.51) MEN1KMT2AUSP2PABPC1POLB
SCHEMBL3938101 0.78 KDM4E (0.58) MEN1KMT2AUSP2PABPC1POLB
SCHEMBL31119058 0.78 KDM4E (0.58) MEN1KMT2AUSP2PABPC1POLB
SCHEMBL1870254 0.75 ERN1 (0.55) MEN1KMT2AUSP2PABPC1POLB
SCHEMBL5657793 0.75 KDM4E (0.50) MEN1KMT2AUSP2PABPC1POLB
SCHEMBL29774203 0.72 NNMT (0.56) MEN1KMT2AUSP2PABPC1POLB
SCHEMBL22717227 0.71 NNMT (0.49) NNMTPRKAG1PRKAA1PRKAB1DHODH
SCHEMBL17161181 0.70 NNMT (0.50) MEN1KMT2APABPC1POLBNNMT
SCHEMBL30267619 0.70 PRKAG1 (0.60) NNMTPRKAG1PRKAA1PRKAB1
SCHEMBL18710738 0.70 KDM4E (0.40) SORT1KDM4EASPHKDM8DHODH

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-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
EP-1401440-A4 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA LG LIFE SCIENCES LTD (KR) 2006-07-05 EP disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1401440-A1 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA Smithkline Beecham (US) 2004-03-31 EP disclosed
WO-2001015695-A1 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA SMITHKLINE BEECHAM CORPORATION (US) 2001-03-08 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 MEN1 4770/4885KMT2A 4465/4885USP2 1996/4885

“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.