SCHEMBL16001144

SCHEMBL16001144

CCOc1ccccc1CSc1ncc(OC2CCCCO2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ DAO P14920 2/20 0.38
▸ TP53 P04637 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PLA2G7 Q13093 3/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35

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
SCHEMBL14486069 0.89 DAO (0.37) HPGDLMNADAOTP53ALDH1A1
SCHEMBL14485964 0.87 HPGD (0.50) HPGDLMNADAOALDH1A1MAPK1
SCHEMBL14486392 0.85 DAO (0.51) LMNADAOTP53ALDH1A1RAB9A
SCHEMBL14486178 0.85 ALDH1A1 (0.43) HPGDLMNADAOTP53ALDH1A1
SCHEMBL14486064 0.82 LMNA (0.42) LMNADAOTP53ALDH1A1RAB9A
SCHEMBL14485911 0.82 DAO (0.61) HPGDLMNADAOTP53ALDH1A1
SCHEMBL16001134 0.82 MMP13 (0.49) HPGDLMNADAOTP53ALDH1A1
SCHEMBL14486459 0.81 PLA2G7 (0.47) HPGDLMNADAOTP53ALDH1A1
SCHEMBL14485971 0.80 DAO (0.43) HPGDLMNADAOTP53ALDH1A1
SCHEMBL14486330 0.80 KDM6B (0.49) LMNADAOTP53ALDH1A1RAB9A

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-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-04 — — 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-20140248378-A1 PYRIMIDINONE COMPOUNDS AND THEIR USE TPMT, DHFR, DPYD HPGD 862/4885LMNA 3191/4885DAO 934/4885

“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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