SCHEMBL2503441

SCHEMBL2503441

Cc1ccc2c(c1)CC[CH]N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.39
PARP10 Q53GL7 2/20 0.37
PARP11 Q9NR21 1/20 0.37
EPHX2 P34913 1/20 0.33
PARP1 P09874 1/20 0.33
NOTUM Q6P988 1/20 0.32
ADRA2A P08913 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 2/20 0.31
HSD17B10 Q99714 2/20 0.31
METAP1 P53582 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
PKM P14618 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
SCHEMBL208741 0.76 AHR (0.43) HTR5APARP10PARP1ADRA2A
SCHEMBL12461 0.71 DRD2 (0.59) HTR5APARP10PARP11PARP1ALDH1A1
SCHEMBL531817 0.68 MAPT (0.54) PARP10PARP11PARP1ALDH1A1MAPT
SCHEMBL29199433 0.67 PKM (0.58) EPHX2ALDH1A1CYP1A2MAPTPKM
SCHEMBL6820066 0.67 CYP1A2 (0.49) HTR5APARP10PARP11EPHX2ALDH1A1
SCHEMBL12994517 0.67 HTR5A (0.45) HTR5APARP10PARP11EPHX2ADRA2A
SCHEMBL4868930 0.67 MAPT (0.49) HTR5APARP10PARP11PARP1ALDH1A1
SCHEMBL8133079 0.67 MEN1 (0.53) HTR5AALDH1A1MAPTGAAKDM4E
SCHEMBL433753 0.67 PKM (0.58) EPHX2ALDH1A1CYP1A2MAPTPKM
SCHEMBL14294948 0.66 HTR5A (0.43) HTR5APARP10PARP11EPHX2PARP1

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-20110245335-A1 NEW INHIBITORS FOR TREATING DISEASES ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN UNIVERSITAETSKLINIKUM MUENSTER (DE) 2011-10-06 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-20110245335-A1 NEW INHIBITORS FOR TREATING DISEASES ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN SLC10A1, ABCB11, HEXD HTR5A 1983/4885PARP10 3425/4885PARP11 4082/4885

“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.