SCHEMBL29844950

SCHEMBL29844950

Cc1cccc2c(CCNC(=O)OC(C)(C)C)cccc12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.62
MTNR1A P48039 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
IDO1 P14902 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
MTNR1B P49286 1/20 0.42
NAMPT P43490 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL21680877 0.86 NQO2 (0.57) NQO2MTNR1ATDP1LMNAIDO1
SCHEMBL29845423 0.85 NQO2 (0.61) NQO2MTNR1ALMNAIDO1MEN1
SCHEMBL4597216 0.85 NQO2 (0.60) NQO2TDP1LMNAIDO1MEN1
SCHEMBL1579453 0.85 NQO2 (0.75) NQO2MTNR1AMTNR1B
SCHEMBL4598153 0.84 NQO2 (0.56) NQO2TDP1LMNAIDO1MEN1
SCHEMBL20562323 0.81 MTNR1A (0.51) NQO2MTNR1ALMNAMEN1KMT2A
SCHEMBL29844938 0.81 NQO2 (0.59) NQO2MTNR1ATDP1LMNAIDO1
SCHEMBL21614210 0.80 NQO2 (0.54) NQO2MTNR1AIDO1MTNR1BNAMPT
SCHEMBL5467303 0.79 NQO2 (0.54) NQO2LMNAIDO1MEN1TSHR
SCHEMBL6681403 0.78 NQO2 (0.56) NQO2TDP1LMNAIDO1MEN1

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-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 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-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 NQO2 1000/4885MTNR1A 447/4885TDP1 1444/4885

“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.