SCHEMBL5863967

SCHEMBL5863967

Nc1ccc2cnn(Cc3ccccc3)c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 4/20 0.51
HTT P42858 3/20 0.51
HSD17B10 Q99714 2/20 0.51
RECQL P46063 1/20 0.49
AURKA O14965 1/20 0.47
GRK2 P25098 1/20 0.47
ROCK1 Q13464 1/20 0.47
RPS6KA1 Q15418 1/20 0.47
TSHR P16473 1/20 0.47
PRMT5 O14744 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
PPARG P37231 2/20 0.46
NCOA2 Q15596 2/20 0.46
NCOA1 Q15788 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CNR1 P21554 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL5864063 0.87 ALDH1A1 (0.51) TDP1ALDH1A1HTTHSD17B10AURKA
SCHEMBL29703247 0.83 TDP1 (0.72) TDP1ALDH1A1HTTHSD17B10RECQL
SCHEMBL9027681 0.83 TDP1 (0.72) TDP1ALDH1A1HTTHSD17B10RECQL
SCHEMBL28899162 0.83 NPBWR1 (0.56) TDP1ALDH1A1HTTHSD17B10AURKA
Hydrochloric Acid SCHEMBL30088832 0.82 TDP1 (0.70) TDP1ALDH1A1HTTHSD17B10RECQL
SCHEMBL5864447 0.81 LMNA (0.47) TDP1ALDH1A1LMNAPKMMAPK1
SCHEMBL4479748 0.81 RECQL (0.66) ALDH1A1HTTHSD17B10RECQLTSHR
SCHEMBL5863497 0.80 TDP1 (0.51) TDP1ALDH1A1HTTHSD17B10CNR1
SCHEMBL870390 0.78 RECQL (0.66) TDP1ALDH1A1RECQLAURKATSHR
SCHEMBL29992643 0.78 RECQL (0.66) TDP1ALDH1A1RECQLAURKATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC TDP1 3540/4885ALDH1A1 1345/4885HTT 3947/4885

“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.