SCHEMBL5872957

SCHEMBL5872957

Cc1sc(-c2n[nH]c3c(F)cccc23)nc1-c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.44
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PTGS2 P35354 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 2/20 0.32
DCLK1 O15075 1/20 0.32
PRKD3 O94806 1/20 0.32

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
SCHEMBL5872993 0.82 MAP4K1 (0.48)
SCHEMBL5776631 0.80 IDO1 (0.50) APEX1RARARARBRARGMAPT
SCHEMBL4032541 0.70 PDPK1 (0.47) SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5777277 0.70 KDM4E (0.63) RARARARBRARGALDH1A1DCLK1
SCHEMBL5872849 0.70 ALOX5 (0.51) MAPTMEN1KMT2AALDH1A1MAP4K4
SCHEMBL1407225 0.70 MEN1 (0.48) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL5873036 0.69 IDO1 (0.43) RARARARBRARGCYP1A2ALDH1A1
SCHEMBL5873122 0.66 NTRK1 (0.45) FLT3
SCHEMBL5872971 0.66 KDM4E (0.44) MAPTMEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL1407521 0.65 PDE4A (0.47) MAPTPTGS2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 APEX1 470/4885RARA 3791/4885RARB 2833/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B APEX1 470/4885RARA 3791/4885RARB 2833/4885

“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.