SCHEMBL1337455

SCHEMBL1337455

Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.67
PARP1 P09874 1/20 0.67
PTGS1 P23219 1/20 0.67
TRPV1 Q8NER1 1/20 0.63
KCNK3 O14649 2/20 0.62
KCNK9 Q9NPC2 2/20 0.62
BLK P51451 1/20 0.60
BTK Q06187 1/20 0.60
ADORA3 P0DMS8 1/20 0.59
SETD7 Q8WTS6 1/20 0.58
PRMT1 Q99873 1/20 0.58
DEGS1 O15121 1/20 0.58
DDX3X O00571 1/20 0.57
HDAC1 Q13547 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.56
STAT3 P40763 1/20 0.56

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
SCHEMBL394748 0.90 KCNK3 (0.76) PTGS1KCNK3KCNK9DDX3XSMN1; SMN2
SCHEMBL29568808 0.90 PTGS1 (0.79) PTGS1KCNK3KCNK9DDX3XSMN1; SMN2
SCHEMBL8399784 0.90 PTGS1 (0.79) PTGS1KCNK3KCNK9DDX3XSMN1; SMN2
SCHEMBL24628407 0.89 PTGS1 (0.65) PTPN1PARP1PTGS1TRPV1KCNK3
SCHEMBL29672230 0.87 PTGS1 (0.74) PTGS1KCNK3KCNK9DDX3XSMN1; SMN2
SCHEMBL927121 0.87 PTGS1 (0.74) PTGS1KCNK3KCNK9DDX3XSMN1; SMN2
SCHEMBL6348320 0.86 PARP1 (0.65) PTPN1PARP1TRPV1KCNK3KCNK9
SCHEMBL21295922 0.84 PTGS1 (0.70) PTGS1KCNK3KCNK9DDX3XSMN1; SMN2
SCHEMBL26737633 0.83 DDX3X (0.69) PTGS1KCNK3KCNK9BTKDDX3X
SCHEMBL10090679 0.83 PARP1 (0.74) PTPN1PARP1TRPV1KCNK3KCNK9

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
EP-2291352-B1 N-ACYLTHIOUREA AND N-ACYLUREA INHIBITORS OF THE HEDGEHOG PROTEIN SIGNALLING PATHWAY CENTRE NAT RECH SCIENT (FR) 2017-09-13 EP disclosed
US-9073835-B2 N-acylthiourea and N-acylurea inhibitors of the Hedgehog protein signalling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-07-07 US disclosed
US-20110275663-A1 N-Acylthiourea and N-Acylurea Inhibitors of the Hedgehog Protein Signalling Pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-11-10 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-20110275663-A1 N-Acylthiourea and N-Acylurea Inhibitors of the Hedgehog Protein Signalling Pathway SHH, GLI1, SMO PTPN1 2381/4885PARP1 4642/4885PTGS1 2760/4885

“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.