SCHEMBL5769495

SCHEMBL5769495

Cc1c(Cl)ccc2c(-c3nc(C(=O)O)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ATAD2 Q6PL18 1/20 0.37
PPARA Q07869 1/20 0.36
GFER P55789 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
ALOX5 P09917 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
EIF4E P06730 1/20 0.35
MAP2K4 P45985 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL5770570 0.90 NR4A2 (0.38) KDM4EALDH1A1ATAD2CYP1A2CYP3A4
SCHEMBL5747881 0.86 KDM4E (0.45) GPR35KDM4EALDH1A1ATAD2GFER
SCHEMBL5873094 0.86 ADORA2A (0.37) HCRTR1HCRTR2
SCHEMBL5770403 0.86 PIM1 (0.42) ALDH1A1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL5872958 0.86 MKNK1 (0.43) ALDH1A1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL5872913 0.84 DYRK1A (0.40) ALDH1A1ATAD2HCRTR1HCRTR2MEN1
SCHEMBL5873054 0.83 PIM1 (0.40) KDM4EALDH1A1HCRTR1HCRTR2MEN1
SCHEMBL5872924 0.83 DYRK1A (0.34) KDM4EALDH1A1ATAD2GFERCYP1A2
SCHEMBL5873025 0.83 ALDH1A1 (0.43) ALDH1A1HCRTR1HCRTR2LMNAMEN1
SCHEMBL5872792 0.83 TSHR (0.41) KDM4EALDH1A1LMNAMEN1KMT2A

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-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B GPR35 4109/4885KDM4E 2869/4885ALDH1A1 2272/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B GPR35 4109/4885KDM4E 2869/4885ALDH1A1 2272/4885

“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.