SCHEMBL4596513

SCHEMBL4596513

Cc1nc(Sc2ccc(C#N)cc2)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
TYMS P04818 1/20 0.38
DHFR P00374 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C9 P11712 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
GRM2 Q14416 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5575494 0.81 NPC1 (0.37) ALDH1A1MAPTTP53NPC1RAB9A
SCHEMBL4597649 0.81 AR (0.40)
SCHEMBL4597190 0.78 HAO1 (0.44) DHFRALDH1A1CYP2A6CYP2C9MAPT
SCHEMBL4596529 0.77 TYMS (0.44) TYMSALDH1A1GAATDP1CYP2C9
SCHEMBL3805487 0.73 PTGIR (0.41) ALDH1A1MAPK1CYP2C9MAPTKDM4E
SCHEMBL4597157 0.73 ALDH1A1 (0.46) ALDH1A1GAATDP1MAPK1MAPT
SCHEMBL4596630 0.73 CYP26A1 (0.40) ALDH1A1GAAKDM4ETP53
SCHEMBL4598185 0.73 NR4A1 (0.41) ALDH1A1GAAMAPTTP53SMN1; SMN2
SCHEMBL4596641 0.72 MAPT (0.34) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL4596118 0.71 MAP4K4 (0.51) MAPK1MAPTKDM4ERAB9ASMN1; SMN2

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 MAOA 4819/4885MAOB 4744/4885TYMS 2647/4885

“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.