SCHEMBL12928752

SCHEMBL12928752

CC(=O)C(C)(C)c1nccn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
LPO P22079 1/20 0.38
TSHR P16473 2/20 0.37
FDPS P14324 2/20 0.37
ALDH1A1 P00352 4/20 0.33
PKM P14618 2/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 2/20 0.33
NAMPT P43490 1/20 0.33
POLB P06746 3/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL1083384 0.85 KMT2A (0.50) KMT2ALPOTSHRFDPSALDH1A1
SCHEMBL8283637 0.83 KMT2A (0.45) KMT2ALPOTSHRFDPSALDH1A1
SCHEMBL1046397 0.76 KMT2A (0.40) KMT2ALPOTSHRFDPSALDH1A1
SCHEMBL8415398 0.75 KMT2A (0.56) KMT2ALPOTSHRFDPSALDH1A1
SCHEMBL11050545 0.75 KMT2A (0.56) KMT2ALPOTSHRFDPSALDH1A1
SCHEMBL22863264 0.74 KMT2A (0.50) KMT2ALPOTSHRFDPSALDH1A1
SCHEMBL419709 0.74 KMT2A (0.50) KMT2ALPOTSHRFDPSALDH1A1
SCHEMBL28839172 0.74 KMT2A (0.41) KMT2ALPOTSHRFDPSALDH1A1
Hydrochloric Acid SCHEMBL16540240 0.73 KMT2A (0.48) KMT2ALPOTSHRFDPSALDH1A1
SCHEMBL28784054 0.72 KMT2A (0.45) KMT2ALPOTSHRFDPSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
US-20070066582-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 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 (2 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-20070066582-A1 Diaminoalcohols as therapeutic compounds CTSD, CTSL, CTSC KMT2A 3003/4885LPO 2651/4885TSHR 3964/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C KMT2A 3647/4885LPO 491/4885TSHR 817/4885

“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.