SCHEMBL3768774

SCHEMBL3768774

O=C(Nc1nc2cc(Cl)ccc2o1)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.60
KCNK3 O14649 2/20 0.56
KCNK9 Q9NPC2 2/20 0.56
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 3/20 0.48
PTGS1 P23219 1/20 0.48
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
NR1H4 Q96RI1 2/20 0.47
PPARA Q07869 1/20 0.47
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DUSP1 P28562 1/20 0.45
CETP P11597 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
SCHEMBL4551327 0.82 KCNK3 (0.50) PTGESKCNK3KCNK9LMNATP53
SCHEMBL4506643 0.79 PTGES (0.83) PTGESTP53KDM4EPOLBMAPT
SCHEMBL8125417 0.78 SCD (0.64) LMNATP53MAPT
SCHEMBL3609834 0.78 LMNA (0.55) LMNATP53MAPTCETP
SCHEMBL3771077 0.77 PTGES (0.79) PTGESKCNK3KCNK9RXFP1PTGS1
SCHEMBL3775117 0.76 ALDH1A1 (0.71) PTGESKCNK3KCNK9LMNARXFP1
SCHEMBL14712945 0.76 PTGES (1.00) PTGES
SCHEMBL29958871 0.76 PTGES (1.00) PTGES
Hydrochloric Acid SCHEMBL15808896 0.75 PTGES (0.99) PTGES
SCHEMBL3779837 0.74 PTGES (0.69) PTGESKCNK3KCNK9RXFP1PTGS1

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 4 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
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 PTGES 54/4885KCNK3 1692/4885KCNK9 1283/4885

“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.