SCHEMBL3613620

SCHEMBL3613620

Cc1ccc2c(c1)c(C)c(C(N)=O)n2[C@H]1CCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP1 P09874 2/20 0.36
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
PARP2 Q9UGN5 2/20 0.34
HDAC1 Q13547 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
KDM1A O60341 2/20 0.34
PIM1 P11309 3/20 0.33
PIM2 Q9P1W9 3/20 0.33
PAX8 Q06710 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
SIRT1 Q96EB6 2/20 0.33
RECQL P46063 1/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL3613624 1.00 USP2 (0.37) USP2HSD17B10PARP1MEN1CYP2D6
SCHEMBL4748990 0.66 CHRM1 (0.58) PARP1PARP2KCNH2
SCHEMBL10175863 0.65 HTR6 (0.42) HSD17B10MEN1KMT2AHTR2AHTR2C
SCHEMBL15344930 0.64 CYP11B2 (0.44) MAPTHDAC1
SCHEMBL15344971 0.64 CYP11B2 (0.44) MAPTHDAC1
SCHEMBL1313751 0.63 PARP1 (0.34) PARP1CYP2D6KMT2AMAPTPARP2
SCHEMBL19927863 0.63 KCNH2 (0.51) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL19927864 0.63 KCNH2 (0.46) HTR2AKCNH2
SCHEMBL23697542 0.62 HTR6 (0.49) HTR2CHTR2B
SCHEMBL23697539 0.62 HTR6 (0.49) HTR2CHTR2B

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 1 patent. 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

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 USP2 1020/4885HSD17B10 2072/4885PARP1 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.