SCHEMBL7203092

SCHEMBL7203092

[CH2]Cc1ccc(N=C=S)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 4/20 0.68
MIF P14174 3/20 0.50
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 4/20 0.40
TSHR P16473 1/20 0.40
CHRM1 P11229 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
PNMT P11086 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 2/20 0.33

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
SCHEMBL27467439 0.83 P2RY6 (0.76) P2RY6MIFCA1CA2HSD17B10
SCHEMBL9547731 0.81 P2RY6 (0.74) P2RY6MIFCA1CA2HSD17B10
SCHEMBL9547715 0.81 P2RY6 (1.00) P2RY6MIFCA1CA2HSD17B10
SCHEMBL1853024 0.81 P2RY6 (1.00) P2RY6MIFCA1CA2HSD17B10
SCHEMBL1193625 0.81 P2RY6 (0.74) P2RY6MIFCA1CA2HSD17B10
Bitoscanate SCHEMBL157128 0.80 MIF (0.72) P2RY6MIFCA1CA2HSD17B10
SCHEMBL29277657 0.78 P2RY6 (0.63) P2RY6MIFCA1CA2HSD17B10
SCHEMBL449738 0.78 MIF (0.56) P2RY6MIFCA1CA2HSD17B10
SCHEMBL13633309 0.77 P2RY6 (0.68) P2RY6MIFCA1CA2HSD17B10
SCHEMBL349302 0.77 P2RY6 (0.68) P2RY6MIFCA1CA2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030198598-A1 Polypeptide derivatives ALBERT RAINER (CH) 2003-10-23 US claimed
US-5821249-A Anhydroecogonine compounds and their use as anticholinergic agents UNIVERSITY OF ROCHESTER (US) 1998-10-13 US claimed
US-5686410-A EPIDERMAL GROWTH FACTOR WITH CHELATING GROUP NOVARTIS AG (CH) 1997-11-11 US claimed
EP-0436005-A1 LABELED POLYPEPTIDE DERIVATIVES. SANDOZ LTD (CH) 1991-07-10 EP claimed
WO-1991001144-A1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1991-02-07 WO claimed
US-20030198598-A1 Polypeptide derivatives ALBERT RAINER (CH) 2003-10-23 US disclosed
US-5756065-A DIAGNOSTIC CHELATES FOR ANTIBODIES AND RADIOACTIVE MATERIALS THE DOW CHEMICAL COMPANY (US) 1998-05-26 US disclosed
US-5686410-A EPIDERMAL GROWTH FACTOR WITH CHELATING GROUP NOVARTIS AG (CH) 1997-11-11 US disclosed
EP-0436005-B1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1995-03-29 EP disclosed
EP-0436005-A1 LABELED POLYPEPTIDE DERIVATIVES. SANDOZ LTD (CH) 1991-07-10 EP disclosed
WO-1991001144-A1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1991-02-07 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-20030198598-A1 Polypeptide derivatives HDGF, IGFBP1, VIP P2RY6 3261/4885MIF 116/4885CA1 1758/4885

“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.