SCHEMBL3777404

SCHEMBL3777404

O=C(Nc1cccc2ccccc12)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 1.00
KCNK3 O14649 2/20 0.66
KCNK9 Q9NPC2 2/20 0.66
MAPT P10636 2/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TP53 P04637 1/20 0.57
RXFP1 Q9HBX9 1/20 0.56
SMO Q99835 1/20 0.56
RORC P51449 1/20 0.55
HPGD P15428 1/20 0.54
GAA P10253 1/20 0.53
F2R P25116 1/20 0.53

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
SCHEMBL13010684 0.90 PTGES (0.82) PTGESKCNK3KCNK9MAPTMEN1
SCHEMBL3764456 0.88 PTGES (0.78) PTGESKCNK3KCNK9MAPTMEN1
SCHEMBL6357071 0.87 PTGES (0.76) PTGESMAPTMEN1KMT2ANPC1
SCHEMBL3779538 0.85 PTGES (0.74) PTGESMAPTMEN1KMT2ANPC1
SCHEMBL3777648 0.83 KDR (0.78) PTGESKCNK3KCNK9MAPTMEN1
SCHEMBL3771748 0.81 PTGES (0.69) PTGESKCNK3KCNK9MAPTMEN1
SCHEMBL3769567 0.81 PTGES (0.68) PTGESKCNK3KCNK9MAPTMEN1
SCHEMBL3770507 0.80 PTGES (0.66) PTGESKCNK3KCNK9MAPTMEN1
SCHEMBL3768793 0.80 PTGES (0.66) PTGESKCNK3KCNK9MAPTMEN1
SCHEMBL1811041 0.79 KCNK3 (0.81) PTGESKCNK3KCNK9MAPTMEN1

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
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.