SCHEMBL10175368

SCHEMBL10175368

CCc1ccc(CC(=O)N(C)C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
PCNA P12004 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NUDT1 P36639 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRIA2 P42262 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
SCHEMBL7592018 0.83 PARP1 (0.43) PARP1PCNAHDAC4HDAC6POLB
SCHEMBL24802436 0.81 ESR1 (0.55) PARP1PCNATP53TSHRHSD17B10
SCHEMBL19180433 0.79 SKP2 (0.46) PARP1PCNAHDAC4HDAC6TSHR
SCHEMBL13492094 0.79 CYP4Z1 (0.47) TSHRHSD17B10L3MBTL1
SCHEMBL19182412 0.78 PARP1 (0.43) PARP1PCNAHDAC4HDAC6TSHR
SCHEMBL14340565 0.77 ALDH1A1 (0.48) PARP1HDAC4HDAC6POLBAPEX1
SCHEMBL24803332 0.77 PARP1 (0.44) PARP1PCNAHDAC4HDAC6TSHR
SCHEMBL24802444 0.77 GAA (0.47) TSHRL3MBTL1POLBTDP1
SCHEMBL10309764 0.76 ALDH1A1 (0.53) TSHR
SCHEMBL18912182 0.76 PARP1 (0.43) PARP1PCNAHDAC4HDAC6POLB

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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 PARP1 1092/4885PCNA 2408/4885HDAC4 1466/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 PARP1 896/4885PCNA 2164/4885HDAC4 1238/4885

“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.