SCHEMBL4859508

SCHEMBL4859508

C[N+](C)=COn1nnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ SLC9A1 P19634 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ CYP4Z1 Q86W10 1/20 0.47
▸ KMT2A Q03164 5/20 0.44
▸ HDAC3 O15379 3/20 0.43
▸ HDAC4 P56524 3/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC7 Q8WUI4 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC10 Q969S8 3/20 0.43

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
SCHEMBL19858658 0.94 TSHR (0.45) TSHRNPSR1RXFP1SLC9A1MAPT
SCHEMBL6662576 0.89 KMT2A (0.41) TSHRNPSR1RXFP1SLC9A1MAPT
SCHEMBL23146638 0.80 TSHR (0.54) TSHRNPSR1RXFP1SLC9A1MAPT
SCHEMBL16564463 0.78 TSHR (0.45) TSHRNPSR1RXFP1SLC9A1MAPT
SCHEMBL640172 0.77 TSHR (0.54) TSHRNPSR1RXFP1SLC9A1MAPT
SCHEMBL14282691 0.77 TSHR (0.54) TSHRNPSR1RXFP1SLC9A1MAPT
SCHEMBL798347 0.76 TSHR (0.58) TSHRNPSR1RXFP1SLC9A1MAPT
SCHEMBL29389351 0.75 TSHR (0.61) TSHRNPSR1RXFP1SLC9A1MAPT
SCHEMBL736439 0.75 TSHR (0.61) TSHRNPSR1RXFP1SLC9A1MAPT
SCHEMBL12246376 0.74 TSHR (0.51) TSHRNPSR1RXFP1SLC9A1MAPT

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-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2026-05-21 — — US disclosed
US-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof INSTITUT CURIE (FR) 2026-01-20 — — US disclosed
US-20220233673-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2022-07-28 — — US disclosed
US-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 — — 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-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof STXBP1, RNGTT, UPF1 TSHR 1490/4885NPSR1 4238/4885RXFP1 3765/4885
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF STXBP1, HBB, UPF1 TSHR 1384/4885NPSR1 3980/4885RXFP1 3132/4885

“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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