SCHEMBL5993375

SCHEMBL5993375

S=C1N[C@@H](c2ccccc2)CS1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
PRCP P42785 1/20 0.36
HDAC3 O15379 2/20 0.36
NCOR1 O75376 2/20 0.36

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
SCHEMBL17295910 1.00 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL5993378 1.00 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1HPGD
Iodide SCHEMBL10779425 0.98 MEN1 (0.54) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL32662854 0.81 KMT2A (0.38) MEN1KMT2ANPC1ALDH1A1TSHR
SCHEMBL2320093 0.76 KMT2A (0.56) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL5950697 0.74 ALDH1A1 (0.37) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL3624232 0.73 MEN1 (0.96) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL10767075 0.68 CA2 (0.42) HDAC3NCOR1HDAC1HDAC2HDAC8
SCHEMBL15285332 0.68 CA2 (0.42) HDAC3NCOR1HDAC1HDAC2HDAC8
SCHEMBL5797442 0.65 NOS1 (0.45) MEN1KMT2ANPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117323980-A Chiral PEG-Ag6D/LSP6 cluster-based nanoparticle, method and application 同济大学 2024-01-02 CN disclosed
US-20060154922-A1 Muscarinic agonists ELILILLY AND COMPANY (US) 2006-07-13 US disclosed
US-6620815-B1 Selective antagonists for human alpha 1A receptors; benign prostatic hyperplasia, impotency, cardiac arrhythmia treatment; anticholesterol agents; intraocular pressure reduction SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-16 US disclosed
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO 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-20060154922-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 MEN1 276/4885KMT2A 2193/4885NPC1 1490/4885

“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.