SCHEMBL29642302

SCHEMBL29642302

Cn1c(C(N)CCCNC(=O)OC(C)(C)C)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.52
BCHE P06276 1/20 0.46
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
HTT P42858 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
SCHEMBL20232640 1.00 BRD4 (0.52) BRD4BCHEMAPTMEN1GAA
SCHEMBL22598871 0.88 BRD4 (0.51) BRD4BCHEMEN1GAAKMT2A
SCHEMBL29642355 0.88 BRD4 (0.51) BRD4BCHEMAPTMEN1GAA
SCHEMBL20232553 0.88 BRD4 (0.51) BRD4BCHEMAPTMEN1GAA
SCHEMBL20232495 0.88 BRD4 (0.51) BRD4BCHEMEN1GAAKMT2A
SCHEMBL29642253 0.85 BRD4 (0.56) BRD4ALDH1A1
SCHEMBL20232496 0.85 BRD4 (0.56) BRD4ALDH1A1
SCHEMBL20232558 0.83 BRD4 (0.56) BRD4MEN1GAAKMT2A
SCHEMBL29642323 0.83 BRD4 (0.56) BRD4MEN1GAAKMT2A
SCHEMBL20232561 0.82 BRD4 (0.46) BRD4MEN1GAAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089549-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES (PADS) AND METHODS OF PREPARATION AND USE THEREOF UNIV MASSACHUSETTS (US) 2022-03-24 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-20220089549-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES (PADS) AND METHODS OF PREPARATION AND USE THEREOF PADI2, PADI1, PADI4 BRD4 1424/4885BCHE 333/4885MAPT 3793/4885

“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.