SCHEMBL3607862

SCHEMBL3607862

Cc1c(C(=O)N[C@H]2CCCNC2)[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
PTGS2 P35354 2/20 0.48
PARP1 P09874 1/20 0.48
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46
OPRK1 P41145 1/20 0.46
CHEK1 O14757 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL3607864 1.00 MAOA (0.51) MAOAPTGS2PARP1MAPTKDM4E
SCHEMBL3608639 1.00 MAOA (0.51) MAOAPTGS2PARP1MAPTKDM4E
SCHEMBL3613688 0.93 MAOA (0.56) MAOAPTGS2PARP1MAPTKDM4E
SCHEMBL3615614 0.93 MAOA (0.56) MAOAPTGS2PARP1MAPTKDM4E
SCHEMBL3613693 0.93 MAOA (0.56) MAOAPTGS2PARP1MAPTKDM4E
SCHEMBL3609782 0.86 ADORA1 (0.56) PTGS2ALDH1A1LMNAMAPK1OPRK1
SCHEMBL3598892 0.86 ADORA1 (0.56) PTGS2ALDH1A1LMNAMAPK1OPRK1
SCHEMBL3604137 0.86 ADORA1 (0.56) PTGS2ALDH1A1LMNAMAPK1OPRK1
Trifluoroacetic Acid SCHEMBL3606315 0.85 MAOA (0.49) MAOAPTGS2PARP1MAPTKDM4E
Trifluoroacetic Acid SCHEMBL3597229 0.85 MAOA (0.49) MAOAPTGS2PARP1MAPTKDM4E

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 MAOA 31/4885PTGS2 356/4885PARP1 156/4885

“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.