SCHEMBL20182582

SCHEMBL20182582

Cn1cc(CCCn2c(=O)c3c(ncn3CC3CCCCC3)n(C)c2=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PMP22 Q01453 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.41
▸ ADORA2B P29275 4/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 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
SCHEMBL20976273 0.99 POLB (0.44) POLBHIF1AKMT2ATSHRLMNA
SCHEMBL18256119 0.81 ADORA2B (0.57) TSHRLMNACYP1A2NFKB1ACHE
SCHEMBL20182681 0.78 CYP2B6 (0.46) POLBHIF1AKMT2ATSHRLMNA
SCHEMBL18256065 0.78 KMT2A (0.64) KMT2ALMNAMAPTRXFP1ADORA2B
SCHEMBL19608042 0.77 LMNA (0.48) POLBHIF1AKMT2ATSHRLMNA
SCHEMBL18256137 0.76 KMT2A (0.66) POLBKMT2ALMNAMAPTRXFP1
SCHEMBL18256053 0.76 TRPA1 (0.44) POLBHIF1AKMT2ATSHRLMNA
SCHEMBL20205950 0.75 KMT2A (0.46) POLBHIF1AKMT2ALMNACYP1A2
SCHEMBL20182588 0.75 KMT2A (0.47) POLBHIF1AKMT2ALMNAMAPT
SCHEMBL18256106 0.75 TRPA1 (0.44) POLBHIF1AKMT2ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 — — 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 (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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A POLB 419/4885HIF1A 1686/4885KMT2A 3576/4885

“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.

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