SCHEMBL13084341

SCHEMBL13084341

CC[C@H]1O[C@@H](n2cnc3c(C)nc([N+](=O)[O-])nc32)[C@H](C)[C@@H]1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.50
SLC29A1 Q99808 9/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL13084382 0.89 ADORA3 (0.49) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL14030781 0.88 ADORA3 (0.49) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL13084383 0.86 ADORA3 (0.46) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL13084354 0.81 ADORA3 (0.44) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL13084343 0.81 ADORA3 (0.46) ADORA3ADORA2AADORA1
SCHEMBL13084342 0.81 LMNA (0.47) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL14030794 0.77 EHMT1 (0.43) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL13046064 0.74 DNMT1 (0.49) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL14003428 0.72 CYP2C19 (0.43) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL14003429 0.71 HINT1 (0.57) HPGD

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-7807685-B2 Therapeutic compounds CBT DEVELOPMENT LIMITED (GB) 2010-10-05 US disclosed
US-20080076776-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-03-27 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-20080076776-A1 Therapeutic compounds FPR3, OGFR, OPRK1 ADORA3 370/4885SLC29A1 3642/4885ADORA2A 1448/4885

“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.