SCHEMBL3775381

SCHEMBL3775381

O=C(NCc1cccc(-c2ccccc2)c1)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.63
KCNK9 Q9NPC2 3/20 0.63
SENP1 Q9P0U3 4/20 0.59
PPARG P37231 1/20 0.56
CHRM3 P20309 1/20 0.56
SENP2 Q9HC62 1/20 0.54
PTGS1 P23219 1/20 0.54
RXFP1 Q9HBX9 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
PTGES O14684 1/20 0.53
F2R P25116 1/20 0.52
EPHX2 P34913 1/20 0.52
CFD P00746 1/20 0.51
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51

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
SCHEMBL3767067 0.92 KCNK3 (0.70) KCNK3KCNK9PPARGPTGS1RXFP1
SCHEMBL3780032 0.88 KCNK3 (0.60) KCNK3KCNK9SENP1PPARGPTGS1
SCHEMBL7605581 0.85 SENP1 (0.59) SENP1PPARGCHRM3SENP2RXFP1
SCHEMBL3768813 0.84 KCNK3 (0.61) KCNK3KCNK9PTGS1RXFP1HTT
SCHEMBL3766559 0.84 KCNK3 (0.66) KCNK3KCNK9PTGS1RXFP1PTGES
SCHEMBL3770493 0.81 KCNK3 (0.60) KCNK3KCNK9PTGS1RXFP1PTGES
SCHEMBL3769343 0.80 LMNA (0.70) KCNK3KCNK9PPARGPTGS1RXFP1
SCHEMBL3771423 0.80 KCNK3 (0.61) KCNK3KCNK9PTGS1RXFP1PTGES
SCHEMBL3769394 0.80 KCNK3 (0.64) KCNK3KCNK9PPARGPTGS1RXFP1
SCHEMBL3766556 0.79 KCNK3 (0.82) KCNK3KCNK9PPARGPTGS1RXFP1

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 KCNK3 1692/4885KCNK9 1283/4885SENP1 2313/4885

“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.