SCHEMBL5824464

SCHEMBL5824464

O=C(N=C=S)c1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
PTPRF P10586 1/20 0.37
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
MIF P14174 1/20 0.30
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL28839956 0.86 ALDH1A1 (0.40) ALDH1A1ALOX15KDM4EHPGDMIF
SCHEMBL29770965 0.86 ALDH1A1 (0.40) ALDH1A1ALOX15KDM4EHPGDMIF
SCHEMBL11082801 0.82 MEN1 (0.43) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL5825234 0.77 CES2 (0.52) MEN1KMT2ATDP1PTPN1ALDH1A1
SCHEMBL3048180 0.77 CES2 (0.52) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL1135687 0.77 HPGD (0.42) KMT2AHPGD
SCHEMBL5824686 0.77 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11387114 0.74 NR4A1 (0.53) MEN1KMT2ATDP1PTPN1ALDH1A1
SCHEMBL2015042 0.73 LMNA (0.50)
SCHEMBL5824394 0.73 CTSD (0.49) ALDH1A1HPGDRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
US-4276310-A ARTHROPODICIDES, FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-06-30 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA MEN1 3835/4885KMT2A 2022/4885TDP1 1586/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA MEN1 4168/4885KMT2A 2006/4885TDP1 2348/4885

“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.