SCHEMBL6413727

SCHEMBL6413727

N=C1NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.76
▸ CRHBP P24387 1/20 0.73
▸ CRHR2 Q13324 1/20 0.73
▸ MEN1 O00255 5/20 0.68
▸ KMT2A Q03164 5/20 0.68
▸ MAPT P10636 4/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ GAA P10253 1/20 0.68
▸ XDH P47989 3/20 0.66
▸ GSK3A P49840 2/20 0.64
▸ GSK3B P49841 2/20 0.64
▸ POLB P06746 1/20 0.59
▸ METAP1 P53582 1/20 0.58
▸ MMP13 P45452 1/20 0.56
▸ PTPN11 Q06124 1/20 0.55

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
SCHEMBL6413731 1.00 IGF1R (0.76) IGF1RCRHBPCRHR2MEN1KMT2A
SCHEMBL1250596 0.86 IGF1R (1.00) IGF1RCRHBPCRHR2MEN1KMT2A
SCHEMBL1250598 0.86 IGF1R (1.00) IGF1RCRHBPCRHR2MEN1KMT2A
SCHEMBL13846818 0.86 IGF1R (1.00) IGF1RCRHBPCRHR2MEN1KMT2A
SCHEMBL8309014 0.84 CRHBP (1.00) IGF1RCRHBPCRHR2MEN1KMT2A
SCHEMBL8309015 0.84 CRHBP (1.00) IGF1RCRHBPCRHR2MEN1KMT2A
SCHEMBL29441421 0.78 IGF1R (0.64) IGF1RCRHBPCRHR2MEN1KMT2A
SCHEMBL8186384 0.78 AKR1B1 (0.74) MEN1KMT2AMAPTXDHGSK3B
SCHEMBL8186386 0.78 AKR1B1 (0.74) MEN1KMT2AMAPTXDHGSK3B
SCHEMBL6413936 0.77 XDH (0.70) IGF1RMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050019825-A9 Common ligand mimics: pseudothiohydantoins TRIAD THERAPEUTICS, INC. 2005-01-27 — — US disclosed
US-20040009527-A1 Common ligand mimics: pseudothiohydantoins DONG QING (US) 2004-01-15 — — 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-20050019825-A9 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 IGF1R 291/4885CRHBP 933/4885CRHR2 945/4885
US-20040009527-A1 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 IGF1R 291/4885CRHBP 933/4885CRHR2 945/4885

“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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