SCHEMBL21064778

SCHEMBL21064778

Cc1cccc2c(-c3ccccc3)ccc(N=C=O)c12.O=C=Nc1ccc(-c2ccccc2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
KDM4E B2RXH2 2/20 0.38
PARP1 P09874 2/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPT P10636 1/20 0.31
PABPC1 P11940 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABCB11 O95342 1/20 0.31
NR3C1 P04150 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2A P08913 1/20 0.31
ALOX15 P16050 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
SCHEMBL17847515 0.97 CYP3A4 (0.42) CYP3A4KDM4EPARP1TNKSTNKS2
SCHEMBL9517280 0.85 CYP3A4 (0.39) CYP3A4KDM4EPARP1TRPA1ALDH1A1
SCHEMBL19713010 0.81 GABRA1 (0.45) CYP3A4KDM4EPARP1ALDH1A1HPGD
SCHEMBL17847464 0.80 CYP2A6 (0.38) CYP3A4PARP1ALDH1A1HPGDTDP1
SCHEMBL19712964 0.80 ALDH1A1 (0.42) CYP3A4PARP1ALDH1A1HPGDTDP1
SCHEMBL19713014 0.80 CYP3A4 (0.35) CYP3A4PARP1ALDH1A1HPGDTDP1
SCHEMBL19712974 0.80 PARP1 (0.39) CYP3A4PARP1ALDH1A1HPGDTDP1
SCHEMBL19713022 0.80 CYP3A4 (0.36) CYP3A4KDM4EPARP1ALDH1A1HPGD
SCHEMBL28477591 0.78 CYP3A4 (0.38) CYP3A4KDM4ETRPA1MAPTPABPC1
SCHEMBL17847500 0.76 CYP3A4 (0.33) CYP3A4

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-10329244-B2 Moisture-stable holographic media COVESTRO DEUTSCHLAND AG (DE) 2019-06-25 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-10329244-B2 Moisture-stable holographic media NEFM, MDM4, BHMT2 CYP3A4 3992/4885KDM4E 1395/4885PARP1 133/4885

“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.