SCHEMBL22291973

SCHEMBL22291973

CC(N1Cc2c(cccc2[N+](=O)[O-])C1=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX2 P34913 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
S100A4 P26447 2/20 0.35
PTPRC P08575 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MITF O75030 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL22291912 0.87 CCNA2 (0.37) ALDH1A1NPSR1EPHX2CCNA2CDK2
SCHEMBL7943962 0.81 S100A4 (0.43) ALDH1A1S100A4PTPRCKMT2AMEN1
SCHEMBL22291965 0.81 TNF (0.42) ALDH1A1EPHX2KMT2AMEN1DDB1
SCHEMBL20507500 0.78 KMT2A (0.39) ALDH1A1NPSR1S100A4PTPRCKMT2A
SCHEMBL29802841 0.78 KMT2A (0.39) ALDH1A1NPSR1S100A4PTPRCKMT2A
SCHEMBL9935445 0.76 S100A4 (0.41) ALDH1A1S100A4PTPRCKMT2AMEN1
SCHEMBL22291976 0.75 DDB1 (0.35) ALDH1A1S100A4PTPRCKMT2AMEN1
SCHEMBL22661257 0.75 L3MBTL1 (0.36) ALDH1A1NPSR1S100A4KMT2AMEN1
SCHEMBL20507431 0.75 KMT2A (0.48) ALDH1A1EPHX2KMT2AMEN1MAPT
SCHEMBL22661258 0.74 ALDH1A1 (0.34) ALDH1A1NPSR1CCNA2CDK2CCNA1

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-10730835-B2 Thalidomide analogs and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, HEALTH AND HUMAN SERVICES (US) 2020-08-04 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-10730835-B2 Thalidomide analogs and methods of use PGF, TYMP, TPMT ALDH1A1 380/4885NPSR1 3609/4885EPHX2 925/4885

“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.