SCHEMBL5863445

SCHEMBL5863445

CCOC(=O)c1cccc(C2CNCCN2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PARP1 P09874 1/20 0.40
MAPT P10636 3/20 0.39
CLEC4M Q9H2X3 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
PTK2B Q14289 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
CDC25B P30305 2/20 0.39
GAA P10253 2/20 0.38

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
Acetic Acid SCHEMBL8435104 0.86 TSHR (0.48) TSHRALDH1A1HSD17B10MAPTMEN1
SCHEMBL6969370 0.78 BRD4 (0.46) ALDH1A1HSD17B10MEN1KMT2AHTT
SCHEMBL9213163 0.78 NUDT1 (0.38) TSHRALDH1A1MEN1KMT2AADRA1D
SCHEMBL6963976 0.78 TSHR (0.47) TSHRALDH1A1HSD17B10PARP1USP2
SCHEMBL4516849 0.75 SLC6A2 (0.44) TSHRALDH1A1HSD17B10PARP1MAPT
SCHEMBL27977978 0.73 PARP1 (0.40) TSHRALDH1A1HSD17B10PARP1MEN1
SCHEMBL27529265 0.73 HTR2C (0.53) PARP1CA1CA2
SCHEMBL28353512 0.73 TSHR (0.57) TSHRALDH1A1HSD17B10MAPTMEN1
Hydrochloric Acid SCHEMBL27666727 0.72 HTR2C (0.54) ALDH1A1PARP1MEN1KMT2ACA1
SCHEMBL27980817 0.72 HTR2C (0.43) MEN1KMT2A

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 TSHR 1383/4885ALDH1A1 1345/4885HSD17B10 345/4885

“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.