SCHEMBL21169845

SCHEMBL21169845

N=C(CO)Cc1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
IDO1 P14902 2/20 0.37
APP P05067 9/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL10607972 0.76 CES1 (0.48) IDO1
SCHEMBL15149754 0.74 HTR3E (0.44) CYP3A4IDO1APPCYP2D6PRSS1
SCHEMBL21169826 0.73 CYP1A2 (0.44) CYP3A4CYP1A2CYP2D6
SCHEMBL21169907 0.72 ALDH1A1 (0.50) PRSS1PRSS2PRSS3
SCHEMBL21169974 0.72 IDO1 (0.50) IDO1
SCHEMBL480288 0.71 CYP3A4 (0.35) CYP3A4IDO1APPCYP1A2CYP2D6
SCHEMBL21169926 0.71 PRSS1 (0.49) CYP3A4PRSS1PRSS2PRSS3
SCHEMBL16478469 0.70 F2 (0.43) PRSS1PRSS2PRSS3RXRARXRB
SCHEMBL7546607 0.70 KDM4E (0.53) CYP3A4CYP1A2CYP2D6
SCHEMBL111405 0.69

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-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L CYP3A4 2947/4885IDO1 1704/4885APP 4262/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L CYP3A4 2947/4885IDO1 1704/4885APP 4262/4885

“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.