SCHEMBL5548768

SCHEMBL5548768

CC[N+](CC)(CC)CCOC(c1ccccc1)C(I)N=C=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.46
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 1/20 0.42
CHRNA7 P36544 11/20 0.40
CHRNB4 P30926 8/20 0.40
CHRNA3 P32297 8/20 0.40
CHRNB2 P17787 7/20 0.40
CHRNA4 P43681 7/20 0.40
CHRNA10 Q9GZZ6 2/20 0.36
CHRNA9 Q9UGM1 2/20 0.36
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
ALOX15 P16050 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 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
SCHEMBL14365056 0.74 CHRM2 (0.44) MIFCHRM2CHRM1CHRM3CHRNA7
SCHEMBL5548759 0.69 CHRM2 (0.50) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL14365075 0.66 CHRM2 (0.50) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL3915370 0.64 MIF (1.00) MIFALDH1A1HPGDLMNAHIF1A
SCHEMBL5549551 0.62 CHRM1 (0.49) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL1526826 0.62 MIF (0.73) MIFKDM4EALDH1A1HPGDLMNA
SCHEMBL18312620 0.61 HTT (0.43) CHRM2CHRM1CHRM3SCN1ASCN2A
SCHEMBL29277742 0.61 HTT (0.43) CHRM2CHRM1CHRM3SCN1ASCN2A
SCHEMBL14365079 0.60 CHRM1 (0.47) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL26956529 0.60 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRNA7CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-20040142378-A1 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-07-22 US disclosed
US-20040031122-A1 Wiping device VALEO WISCHERSYSTEME GMBH (DE) 2004-02-19 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-20040142378-A1 Probe for mass spectrometry of liquid sample MRPS22, MRPS27, MRPS23 MIF 66/4885CHRM2 1198/4885CHRM1 1278/4885

“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.