SCHEMBL3602793

SCHEMBL3602793

Cc1c(C(=O)NC2CCCN(C)C2)[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.52
MAOA P21397 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PBK Q96KB5 3/20 0.45
CHEK1 O14757 1/20 0.45
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL3605641 1.00 PTGS2 (0.52) PTGS2MAOAALDH1A1MAPTKDM4E
SCHEMBL3602791 1.00 PTGS2 (0.52) PTGS2MAOAALDH1A1MAPTKDM4E
SCHEMBL3596189 0.93 MAOA (0.48) PTGS2MAOAALDH1A1MAPTKDM4E
SCHEMBL3613589 0.93 MAOA (0.48) PTGS2MAOAALDH1A1MAPTKDM4E
SCHEMBL3596188 0.93 MAOA (0.48) PTGS2MAOAALDH1A1MAPTKDM4E
SCHEMBL3613464 0.87 ADORA1 (0.54) PTGS2ALDH1A1LMNAPBKCHEK1
SCHEMBL3601637 0.87 ADORA1 (0.54) PTGS2ALDH1A1LMNAPBKCHEK1
SCHEMBL3601639 0.87 ADORA1 (0.54) PTGS2ALDH1A1LMNAPBKCHEK1
SCHEMBL3608639 0.79 MAOA (0.51) PTGS2MAOAALDH1A1MAPTKDM4E
SCHEMBL3607864 0.79 MAOA (0.51) PTGS2MAOAALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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 (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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT PTGS2 356/4885MAOA 31/4885ALDH1A1 513/4885

“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.