SCHEMBL2180571

SCHEMBL2180571

CN1CCN(CCNC(=O)c2nnc3c(n2)c(=O)n(C)c(=O)n3C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLR1A O95602 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
USP2 O75604 1/20 0.37
RAD52 P43351 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
GAA P10253 1/20 0.37
HTR4 Q13639 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL2183339 0.93 HSD17B10 (0.42) ALDH1A1HTTHSD17B10KDM4EHPGD
SCHEMBL2181227 0.88 HSD17B10 (0.43) ALDH1A1HSD17B10KDM4EL3MBTL1RXFP1
SCHEMBL2183844 0.88 RXFP1 (0.47) ALDH1A1HSD17B10KDM4ESMN1; SMN2L3MBTL1
SCHEMBL2182592 0.85 CACNA1G (0.38) HDAC2HDAC8HDAC6POLR1AALDH1A1
SCHEMBL2181352 0.83 HTR2A (0.43) HDAC2HDAC8HDAC6POLR1AALDH1A1
SCHEMBL2182779 0.82 POLB (0.41) ALDH1A1HTTHSD17B10KDM4ESMN1; SMN2
SCHEMBL2182023 0.82 POLB (0.53) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL2180487 0.81 SRC (0.41) ALDH1A1HTTHSD17B10KDM4EHPGD
SCHEMBL2180090 0.79 HSD17B10 (0.45) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1
SCHEMBL2181839 0.79 PARP1 (0.42) HDAC2HDAC8HDAC6POLR1AALDH1A1

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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
EP-4129282-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-02-08 EP disclosed
CN-115427032-A Pharmaceutical composition and use thereof 浙江养生堂天然药物研究所有限公司 2022-12-02 CN disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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 (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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 HDAC2 471/4885HDAC8 161/4885HDAC6 1014/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR HDAC2 3050/4885HDAC8 3106/4885HDAC6 1704/4885

“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.