SCHEMBL2185012

SCHEMBL2185012

CCN(CC)CCNc1ccc(-c2nnc3c(n2)c(=O)n(C)c(=O)n3-c2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 5/20 0.41
HSD17B10 Q99714 5/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
POLB P06746 1/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HIF1A Q16665 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
ALOX15 P16050 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
SCHEMBL2181882 0.95 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10KDM4ECYP3A4
SCHEMBL2182925 0.91 RAD52 (0.39) ALDH1A1TSHRHSD17B10KDM4ECYP3A4
SCHEMBL2182225 0.88 POLB (0.48) ALDH1A1TSHRHSD17B10KDM4ECYP3A4
SCHEMBL2179410 0.87 RAD52 (0.46) ALDH1A1TSHRHSD17B10KDM4ECYP3A4
SCHEMBL2181849 0.87 DPP4 (0.37) ALDH1A1TSHRHSD17B10CYP3A4MEN1
SCHEMBL2182613 0.86 TP53 (0.41) ALDH1A1TSHRHSD17B10KDM4ECYP3A4
SCHEMBL2182082 0.86 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10KDM4ECYP3A4
SCHEMBL2184391 0.86 ADORA2A (0.43) ALDH1A1TSHRHSD17B10KDM4ECYP3A4
SCHEMBL2181811 0.86 ADORA2A (0.43) ALDH1A1TSHRHSD17B10KDM4ECYP3A4
SCHEMBL2180581 0.85 DPP4 (0.36) ALDH1A1TSHRHSD17B10CYP3A4MEN1

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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US 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 ALDH1A1 1526/4885TSHR 4571/4885HSD17B10 1725/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR ALDH1A1 245/4885TSHR 2089/4885HSD17B10 962/4885

“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.