SCHEMBL3613693

SCHEMBL3613693

Cc1c(C(=O)NC2CCNC2)[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
PARP1 P09874 1/20 0.47
PTGS2 P35354 1/20 0.45
KDR P35968 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42

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
SCHEMBL3615614 1.00 MAOA (0.56) MAOAPARP1PTGS2KDRALDH1A1
SCHEMBL3613688 1.00 MAOA (0.56) MAOAPARP1PTGS2KDRALDH1A1
SCHEMBL3607864 0.93 MAOA (0.51) MAOAPARP1PTGS2ALDH1A1HSD17B10
SCHEMBL3607862 0.93 MAOA (0.51) MAOAPARP1PTGS2ALDH1A1HSD17B10
SCHEMBL3608639 0.93 MAOA (0.51) MAOAPARP1PTGS2ALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL3597229 0.92 MAOA (0.49) MAOAPARP1PTGS2KDRALDH1A1
Trifluoroacetic Acid SCHEMBL3606315 0.92 MAOA (0.49) MAOAPARP1PTGS2KDRALDH1A1
SCHEMBL3602954 0.85 ADORA1 (0.53) PTGS2KDRALDH1A1HSD17B10NPC1
SCHEMBL3602952 0.85 ADORA1 (0.53) PTGS2KDRALDH1A1HSD17B10NPC1
SCHEMBL3609809 0.85 ADORA1 (0.53) PTGS2KDRALDH1A1HSD17B10NPC1

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 WO 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 MAOA 31/4885PARP1 156/4885PTGS2 356/4885

“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.