SCHEMBL9610849

SCHEMBL9610849

CCc1ccc(CN=C=S)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 12/20 0.63
▸ TRPA1 O75762 3/20 0.63
▸ ALDH1A1 P00352 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ CYP2A6 P11509 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CYP2A13 Q16696 1/20 0.38
▸ EPAS1 Q99814 1/20 0.38
▸ LPL P06858 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 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
SCHEMBL15161145 0.94 MIF (0.57) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2141861 0.88 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1706732 0.82 MIF (0.63) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763362 0.81 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL10651510 0.79 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4881618 0.79 MIF (0.55) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL19130299 0.77 CYP2A6 (0.41) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1456990 0.77 CYP2A6 (0.41) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL10651884 0.77 TRPA1 (0.69) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4780073 0.77 MIF (0.63) MIFTRPA1ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399077-B2 Metallocene compounds and labeled molecules comprising the same for in vivo imaging APTENIA S.R.L. (IT) 2016-07-26 — — US disclosed
US-9399077-B2 Metallocene compounds and labeled molecules comprising the same for in vivo imaging APTENIA S.R.L. (IT) 2016-07-26 — — US disclosed
US-20160008495-A1 Metallocene Compounds and Labeled Molecules Comprising the Same for In Vivo Imaging APTENIA S.R.L. (IT) 2016-01-14 — — US disclosed
US-20160008495-A1 Metallocene Compounds and Labeled Molecules Comprising the Same for In Vivo Imaging APTENIA S.R.L. (IT) 2016-01-14 — — US disclosed
US-9028800-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-05-12 — — US disclosed
US-9028800-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-05-12 — — US disclosed
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2014-12-25 — — US disclosed
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2014-12-25 — — US disclosed
US-8758726-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-06-24 — — US disclosed
US-8758726-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-06-24 — — US disclosed
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-01-16 — — US disclosed
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-01-16 — — US disclosed
US-8545809-B2 Methods and compositions for improved 18F labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-10-01 — — US disclosed
US-8545809-B2 Methods and compositions for improved 18F labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-10-01 — — US disclosed
WO-2012082618-A2 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS, INC. (US) 2012-06-21 — — WO disclosed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 — — US disclosed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 — — 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 (4 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-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS MIF 730/4885TRPA1 4618/4885ALDH1A1 4559/4885
US-20160008495-A1 Metallocene Compounds and Labeled Molecules Comprising the Same for In Vivo Imaging MEN1, MPI, TFRC MIF 94/4885TRPA1 3144/4885ALDH1A1 3718/4885
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS MIF 730/4885TRPA1 4618/4885ALDH1A1 4559/4885
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS MIF 730/4885TRPA1 4618/4885ALDH1A1 4559/4885

“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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