SCHEMBL3595472

SCHEMBL3595472

CSc1ccc2c(OC(=O)C(F)(F)F)c(C(=O)NC3CCNC3)[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
OPRK1 P41145 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2A P28223 2/20 0.36
KCNH2 Q12809 2/20 0.36
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTR4 Q13639 1/20 0.34
KHK P50053 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD4 P21917 1/20 0.34
CCR2 P41597 2/20 0.34
CCR3 P51677 1/20 0.34
PARP1 P09874 1/20 0.33
KDM1A O60341 4/20 0.33
SCN9A Q15858 1/20 0.33
KDR P35968 1/20 0.33
TP53 P04637 1/20 0.33
HTR2C P28335 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
SCHEMBL3612519 0.86 MAPK1 (0.37) MAPK1OPRK1HTR2AKCNH2HDAC4
SCHEMBL3610459 0.86 HTR6 (0.39) MAPK1OPRK1HTR2AKCNH2HDAC4
SCHEMBL3601876 0.86 HDAC4 (0.37) MAPK1OPRK1HTR2AKCNH2HDAC4
SCHEMBL3606656 0.84 PARP1 (0.41) MAPK1OPRK1HPGDALDH1A1HDAC4
SCHEMBL3612662 0.82 ADORA1 (0.45) MAPK1OPRK1ALDH1A1HDAC4HTR4
SCHEMBL3615739 0.80 MAPK1 (0.36) MAPK1OPRK1ALDH1A1HDAC4HDAC6
SCHEMBL3598969 0.79 EPHX1 (0.41) MAPK1OPRK1HDAC4HTR4SCN9A
SCHEMBL3611921 0.77 MAPK1 (0.44) MAPK1OPRK1HDAC4HDAC6HTR4
SCHEMBL3596238 0.77 PARP1 (0.37) MAPK1OPRK1ALDH1A1HDAC4PARP1
SCHEMBL3599370 0.76 CDK2 (0.41) MAPK1OPRK1HTR2AKCNH2HDAC4

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 disclosed
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT MAPK1 4292/4885OPRK1 609/4885HPGD 638/4885

“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.