SCHEMBL3764456

SCHEMBL3764456

O=C(Nc1cccc2cnccc12)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.78
KCNK3 O14649 2/20 0.57
KCNK9 Q9NPC2 2/20 0.57
TRPV1 Q8NER1 1/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.55
CYP11B2 P19099 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CSF1R P07333 3/20 0.52
HTT P42858 2/20 0.52
BLM P54132 2/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL3777404 0.88 PTGES (1.00) PTGESKCNK3KCNK9MAPTMEN1
SCHEMBL3777648 0.81 KDR (0.78) PTGESKCNK3KCNK9MAPTMEN1
SCHEMBL17737359 0.79 KMT2A (0.76) TRPV1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13010684 0.79 PTGES (0.82) PTGESKCNK3KCNK9MAPTMEN1
SCHEMBL7093699 0.77 HTT (0.59) TRPV1ALDH1A1MAPTMEN1KMT2A
SCHEMBL19977127 0.76 TRPV1 (0.54) TRPV1MEN1KMT2AHTTBLM
SCHEMBL6357071 0.75 PTGES (0.76) PTGESALDH1A1MAPTMEN1KMT2A
SCHEMBL3210996 0.75 TRPV1 (0.53) TRPV1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3769567 0.75 PTGES (0.68) PTGESKCNK3KCNK9MAPTMEN1
SCHEMBL30987374 0.75 ALDH1A1 (0.64) TRPV1ALDH1A1MAPTMEN1KMT2A

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-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

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.