SCHEMBL12436335

SCHEMBL12436335

NC(CCSCC1OC(O)C(O)C1O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 7/20 0.49
DNMT1 P26358 6/20 0.49
DOT1L Q8TEK3 3/20 0.49
CARM1 Q86X55 2/20 0.49
EHMT2 Q96KQ7 2/20 0.49
TRDMT1 O14717 1/20 0.49
PRMT5 O14744 1/20 0.49
SUV39H1 O43463 1/20 0.49
PRMT3 O60678 1/20 0.49
INMT O95050 1/20 0.49
NSD2 O96028 1/20 0.49
PNMT P11086 1/20 0.49
NNMT P40261 1/20 0.49
HNMT P50135 1/20 0.49
WDR5 P61964 1/20 0.49
KMT2A Q03164 1/20 0.49
SETDB1 Q15047 1/20 0.49
RBBP5 Q15291 1/20 0.49
EZH2 Q15910 1/20 0.49
METTL3 Q86U44 1/20 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
SCHEMBL30912138 1.00 DNMT3B (0.49) DNMT3BDNMT1DOT1LCARM1EHMT2
SCHEMBL13033863 1.00 DNMT3B (0.49) DNMT3BDNMT1DOT1LCARM1EHMT2
SCHEMBL14433645 1.00 DNMT3B (0.49) DNMT3BDNMT1DOT1LCARM1EHMT2
SCHEMBL13073241 1.00 DNMT3B (0.49) DNMT3BDNMT1DOT1LCARM1EHMT2
SCHEMBL14174651 0.86 DNMT3B (0.48) DNMT3BDNMT1DOT1LCARM1EHMT2
SCHEMBL25897368 0.85 DNMT3B (0.47) DNMT3BDNMT1DOT1LCARM1EHMT2
SCHEMBL12800307 0.85 DNMT3B (0.47) DNMT3BDNMT1DOT1LCARM1EHMT2
SCHEMBL14985200 0.85 DNMT3B (0.47) DNMT3BDNMT1DOT1LCARM1EHMT2
SCHEMBL20362504 0.84 DOT1L (0.43) DNMT3BDNMT1DOT1LCARM1EHMT2
SCHEMBL14174656 0.80 DOT1L (0.44) DNMT3BDNMT1DOT1LCARM1EHMT2

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-20110190265-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTIONS BY INHIBITING QUORUM SENSING NATIONAL INSTITUTES OF HEALTH 2011-08-04 US disclosed
US-20110081677-A1 Active Microfluidic Membranes UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2011-04-07 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-20110190265-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTIONS BY INHIBITING QUORUM SENSING AHCY, MTAP, BHMT DNMT3B 232/4885DNMT1 160/4885DOT1L 1093/4885

“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.