SCHEMBL13067231

SCHEMBL13067231

Cc1cc(O)nc(SCc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.82
▸ HPGD P15428 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ POLB P06746 2/20 0.56
▸ GAA P10253 2/20 0.54
▸ KDM1A O60341 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ MET P08581 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ CTSB P07858 1/20 0.49
▸ ABCB1 P08183 1/20 0.48

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
SCHEMBL5654152 0.90 MAPT (1.00) MAPTHPGDL3MBTL1ALDH1A1POLB
SCHEMBL843841 0.82 MAPT (0.55) MAPTHPGDALDH1A1GAASMN1; SMN2
SCHEMBL844895 0.82 MAPT (0.55) MAPTHPGDALDH1A1GAAKDM1A
SCHEMBL13067230 0.82 HTT (0.59) MAPTHPGDALDH1A1POLBGAA
SCHEMBL10517551 0.81 MAPT (0.62) MAPTHPGDALDH1A1SMN1; SMN2TDP1
SCHEMBL13067211 0.80 HTT (0.58) MAPTHPGDALDH1A1POLBGAA
SCHEMBL12283046 0.79 HTT (0.56) MAPTL3MBTL1ALDH1A1SMN1; SMN2TDP1
SCHEMBL13067223 0.79 HTT (0.79) MAPTHPGDALDH1A1GAAKDM1A
SCHEMBL5312755 0.79 HTT (0.56) MAPTHPGDL3MBTL1ALDH1A1GAA
SCHEMBL1520968 0.79 SMN1; SMN2 (0.57) MAPTHPGDL3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 — — US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 — — US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 — — US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 — — US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 — — US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 — — US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 — — WO 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 (2 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP MAPT 385/4885HPGD 342/4885L3MBTL1 4706/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP MAPT 385/4885HPGD 342/4885L3MBTL1 4706/4885

“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.

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