SCHEMBL13239643

SCHEMBL13239643

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)CC1C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
ALB P02768 1/20 0.56
MAPK1 P28482 1/20 0.56
TYMP P19971 2/20 0.53
STING1 Q86WV6 7/20 0.46
ADORA3 P0DMS8 3/20 0.45
P2RX3 P56373 1/20 0.43
GSK3A P49840 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MAPK14 Q16539 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
SCHEMBL22458562 0.90 LMNA (0.64) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL13790668 0.90 LMNA (0.64) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL10098564 0.87 TYMP (0.65) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL12352411 0.87 TYMP (0.65) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL13239716 0.87 TYMP (0.65) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL23236898 0.84 ALDH1A1 (0.47) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL21782572 0.84 ALDH1A1 (0.47) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL13486400 0.83 POLB (0.54) STING1ADORA3
SCHEMBL12936335 0.83 POLB (0.54) STING1ADORA3
SCHEMBL26268409 0.83 POLB (0.54) STING1ADORA3

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-8501931-B2 Convertible nucleoside derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2013-08-06 US disclosed
US-20100179312-A1 CONVERTIBLE NUCLEOSIDE DERIVATIVES LAKSHMAN MAHESH K 2010-07-15 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-20100179312-A1 CONVERTIBLE NUCLEOSIDE DERIVATIVES PNP, NUDT1, NUDT14 ALDH1A1 1657/4885LMNA 829/4885ALB 4308/4885

“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.