SCHEMBL4597573

SCHEMBL4597573

Cc1nc(Oc2ccc(Br)cc2F)ccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MAP4K4 O95819 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPK14 Q16539 3/20 0.36
PTGS2 P35354 4/20 0.35
PTGS1 P23219 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK3 P27361 1/20 0.35
PTGFR P43088 1/20 0.35
BRD4 O60885 1/20 0.35
ERN1 O75460 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
CYP2A6 P11509 1/20 0.33

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
SCHEMBL4596546 0.81 MAP4K4 (0.37) MAP4K4MAPK14BRD4
SCHEMBL30366632 0.74 KDM4E (0.40) GHSRALDH1A1LMNAPOLBTSHR
SCHEMBL25715298 0.74 KDM4E (0.40) GHSRALDH1A1LMNAPOLBTSHR
SCHEMBL739388 0.71 GRM2 (0.41) ALDH1A1TSHRPTGS2PTGS1L3MBTL1
SCHEMBL20465744 0.70 ERN1 (0.52) ALDH1A1PTGDR2ERN1CYP2A6
SCHEMBL19429 0.70 ERN1 (0.52) ALDH1A1PTGDR2ERN1CYP2A6
SCHEMBL27266032 0.70 MAPK1 (0.58) ALDH1A1LMNAPOLBTSHRHTT
SCHEMBL4596178 0.69 HAO1 (0.49) ALDH1A1LMNAPOLBTSHRMAP4K4
SCHEMBL5576516 0.69 AR (0.40) MAP4K4
SCHEMBL2187107 0.69 GRM2 (0.39) GHSRALDH1A1LMNAPOLBTSHR

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 GHSR 1715/4885ALDH1A1 3484/4885LMNA 4700/4885

“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.