SCHEMBL18351128

SCHEMBL18351128

Cc1nc2sc(-c3ccccc3)c(Cl)c2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HPGD P15428 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ADORA3 P0DMS8 3/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PARP1 P09874 2/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TYMS P04818 1/20 0.40

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
SCHEMBL14883268 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL14875737 0.83 XDH (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDTYMS
SCHEMBL18351088 0.81 MAPK1 (0.55) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL18351100 0.79 ADORA3 (0.61) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL18351095 0.77 MAPK1 (0.58) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL18351094 0.77 MAPK1 (0.58) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL18351089 0.76 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL18351096 0.75 MAPK1 (0.55) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL14875833 0.75 DHFR (0.56) ALDH1A1KDM4ESMN1; SMN2HPGDRXFP1
SCHEMBL18351099 0.75 MAPK1 (0.55) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT

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-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease F. HOFFMAN-LA ROCHE LTD 2016-12-29 — — 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-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT ALDH1A1 464/4885KDM4E 3351/4885SMN1; SMN2 458/4885

“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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