SCHEMBL12899836

SCHEMBL12899836

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](O)C1O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.63
▸ HINT1 P49773 4/20 0.57
▸ IMPDH2 P12268 6/20 0.56
▸ IMPDH1 P20839 2/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.54
▸ TAS1R1 Q7RTX1 1/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ NT5E P21589 1/20 0.52
▸ GSK3A P49840 2/20 0.49
▸ RPS6KA3 P51812 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49

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
SCHEMBL9945533 0.91 HPGD (0.76) HPGDIMPDH2IMPDH1PAX8NT5E
SCHEMBL10118075 0.91 HPGD (0.76) HPGDIMPDH2IMPDH1PAX8NT5E
SCHEMBL16787414 0.91 HPGD (0.76) HPGDIMPDH2IMPDH1PAX8NT5E
SCHEMBL14440590 0.90 HPGD (0.74) HPGDIMPDH2IMPDH1PAX8NT5E
SCHEMBL16787416 0.90 HPGD (0.62) HPGDHINT1IMPDH2IMPDH1TAS1R3
SCHEMBL19417780 0.88 HINT1 (0.72) HPGDHINT1IMPDH2IMPDH1NT5E
SCHEMBL784543 0.88 HINT1 (0.72) HPGDHINT1IMPDH2IMPDH1NT5E
SCHEMBL22268191 0.88 HINT1 (0.72) HPGDHINT1IMPDH2IMPDH1NT5E
SCHEMBL14559271 0.88 HINT1 (0.72) HPGDHINT1IMPDH2IMPDH1NT5E
SCHEMBL19204426 0.88 HINT1 (0.72) HPGDHINT1IMPDH2IMPDH1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261166-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE ALNYLAM PHARMACEUTICALS, INC. 2013-10-03 — — US disclosed
US-20110027882-A1 Methods and Compositions for Treating Neurological Disease UNIVERSITY OF MASSACHUSETTS 2011-02-03 — — 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-20130261166-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA HPGD 3859/4885HINT1 3049/4885IMPDH2 819/4885

“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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