SCHEMBL4577007

SCHEMBL4577007

COC(=O)c1ccc(CC2NC(=O)CN(C)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC8 Q9BY41 2/20 0.49
RAB9A P51151 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GHSR Q92847 2/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PLA2G10 O15496 1/20 0.40
PLA2G5 P39877 1/20 0.40
CYP4A11 Q02928 2/20 0.40
CYP4F2 P78329 1/20 0.39
CHKA P35790 1/20 0.39

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
SCHEMBL2543245 0.78 GHSR (0.57) HDAC6HDAC1HDAC8GHSRPLA2G10
SCHEMBL13074467 0.78 GHSR (0.57) HDAC6HDAC1HDAC8GHSRPLA2G10
SCHEMBL11257403 0.76 RAB9A (0.53) HDAC6HDAC1RAB9ALOXL2ALDH1A1
SCHEMBL5674985 0.71 LOXL2 (0.46) RAB9ALOXL2ALDH1A1NPC1CYP4A11
SCHEMBL15166136 0.70 LOXL2 (0.51) LOXL2ALDH1A1LMNACYP4A11CYP4F2
SCHEMBL9020761 0.69 HDAC6 (0.59) HDAC6HDAC1HDAC8ALDH1A1PLA2G10
SCHEMBL31352725 0.69 LOXL2 (0.58) LOXL2CYP4A11CYP4F2
SCHEMBL28659899 0.68 LOXL2 (0.56) LOXL2ALDH1A1NPC1LMNACYP4A11
SCHEMBL20189519 0.67 RAB9A (0.53) HDAC6HDAC1HDAC8RAB9ALOXL2
SCHEMBL30492742 0.67 MAPT (0.60) RAB9ALOXL2ALDH1A1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP 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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 HDAC6 1442/4885HDAC1 381/4885HDAC8 1460/4885

“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.