SCHEMBL21499310

SCHEMBL21499310

CN(C(=O)c1cnc(C(C)(C)C)s1)c1ccc2c(c1)CCCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ HSD17B1 P14061 5/20 0.36
▸ HSD17B2 P37059 5/20 0.36
▸ BTK Q06187 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL21468476 0.76 RAB9A (0.52) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL21468484 0.73 NR1H4 (0.55) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL24415622 0.71 HDAC3 (0.36) HSD17B1HSD17B2BTKALDH1A1NPC1
SCHEMBL21468460 0.67 DHODH (0.59) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL11667482 0.66 RXRA (0.58) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL21468523 0.64 DHODH (0.47) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL16814173 0.63 ALDH1A1 (0.44) BTKALDH1A1NPC1RAB9ALMNA
SCHEMBL4282035 0.63 HCAR2 (0.57) RXRARXRBRXRGBTKALDH1A1
SCHEMBL2091407 0.62 RXRA (0.48) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL27666257 0.62 RXRA (0.48) RXRARXRBRXRGALDH1A1NPC1

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-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 — — 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-10450263-B2 Benzo annulenes as antiviral agents MAVS, ZC3HAV1, GABBR1 RXRA 2532/4885RXRB 2362/4885RXRG 3246/4885

“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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