SCHEMBL20397780

SCHEMBL20397780

O=C(O)NC(Cc1ccc(Cl)cc1)c1nn[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.54
ECE1 P42892 6/20 0.50
MME P08473 5/20 0.50
AGTR2 P50052 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.46
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
FFAR2 O15552 1/20 0.45
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL20397778 1.00 PIN1 (0.54) PIN1ECE1MMEAGTR2NAALAD2
SCHEMBL852503 0.88 PIN1 (0.67) PIN1ECE1MMEAGTR2NAALAD2
SCHEMBL20397877 0.87 PIN1 (0.54) PIN1ECE1MMEAGTR2NAALAD2
SCHEMBL20397878 0.87 PIN1 (0.54) PIN1ECE1MMEAGTR2NAALAD2
SCHEMBL18262700 0.84 PIN1 (0.54) PIN1ECE1MMEAGTR2NAALAD2
SCHEMBL18262698 0.84 PIN1 (0.54) PIN1ECE1MMEAGTR2NAALAD2
SCHEMBL20415885 0.82 GRN (0.47) PIN1ECE1MMEAGTR2GRN
SCHEMBL20397617 0.75 ECE1 (0.46) PIN1ECE1MMEAGTR2
SCHEMBL20397620 0.75 ECE1 (0.46) PIN1ECE1MMEAGTR2
SCHEMBL21835921 0.74 CYP1A2 (0.43) PIN1ECE1MMEAGTR2FFAR2

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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-12-08 US disclosed
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 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 (2 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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof FPR1, SAAL1, FPR2 PIN1 3515/4885ECE1 1564/4885MME 1176/4885
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, SAAL1 PIN1 3357/4885ECE1 1345/4885MME 1067/4885

“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.