SCHEMBL12376846

SCHEMBL12376846

Cc1cc(O)c(C(C)C)cc1Cn1c(=S)sc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 2/20 0.46
MAPK1 P28482 1/20 0.46
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
THRB P10828 5/20 0.35
THRA P10827 4/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL12376845 0.81 ALDH1A1 (0.37) CYP1A2CYP2D6MAPK1ALDH1A1HSD17B10
SCHEMBL14572673 0.81 ALDH1A1 (0.38) CYP1A2CYP2D6MAPK1ALDH1A1HSD17B10
SCHEMBL9694125 0.79 ALDH1A1 (0.37) CYP1A2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL9694402 0.78 L3MBTL1 (0.40) CYP1A2MAPK1ALDH1A1HSD17B10HPGD
SCHEMBL9694885 0.76 ALDH1A1 (0.39) CYP1A2CYP2D6ALDH1A1HSD17B10HPGD
SCHEMBL9694565 0.76 ALDH1A1 (0.39) CYP1A2MAPK1ALDH1A1HSD17B10HPGD
SCHEMBL9694960 0.74 L3MBTL1 (0.42) CYP1A2MAPK1ALDH1A1HSD17B10HPGD
SCHEMBL9694779 0.71 ALDH1A1 (0.38) CYP1A2CYP2D6ALDH1A1HSD17B10HPGD
SCHEMBL9692922 0.71 TP53 (0.39) CYP1A2MAPK1ALDH1A1HSD17B10HPGD
SCHEMBL9694177 0.70 HSPA5 (0.46) CYP1A2CYP2D6MAPK1ALDH1A1HSD17B10

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160732-B2 MIF inhibitors MIFCARE (FR) 2018-12-25 US claimed
EP-2929882-B1 MIF inhibitors MIFCARE (FR) 2018-06-13 EP claimed
US-20170029387-A1 MIF INHIBITORS APAXEN (BE) 2017-02-02 US claimed
WO-2015155358-A1 MIF INHIBITORS MIFCARE (FR) 2015-10-15 WO claimed
EP-2929882-A1 MIF inhibitors Mifcare (FR) 2015-10-14 EP claimed
US-10160732-B2 MIF inhibitors MIFCARE (FR) 2018-12-25 US disclosed
EP-2929882-B1 MIF inhibitors MIFCARE (FR) 2018-06-13 EP disclosed
US-20170029387-A1 MIF INHIBITORS APAXEN (BE) 2017-02-02 US disclosed
WO-2015155358-A1 MIF INHIBITORS MIFCARE (FR) 2015-10-15 WO disclosed
EP-2929882-A1 MIF inhibitors Mifcare (FR) 2015-10-14 EP disclosed
EP-1468331-B1 POLYMERIC MATERIAL CONTAINING A LATENT ACID BASF SE (DE) 2012-10-03 EP disclosed
US-8003297-B2 Polymeric material, containing a latent acid BASF SE (DE) 2011-08-23 US disclosed
US-20090155716-A1 Polymeric material containing a latent acid, i.e. a compound which is not an acid but which can be converted to an acid by the influence of laser irradiation HENEGHAN MICHAEL 2009-06-18 US disclosed
EP-1407322-B1 LASER MARKING METHOD CIBA HOLDING INC (CH) 2008-12-17 EP disclosed
US-7264916-B2 Laser marking method CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-09-04 US disclosed
US-7264916-B2 Laser marking method CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-09-04 US disclosed
US-7198884-B2 Heat stable photocurable resin composition for dry film resist CIBA SPECIALTY CHEMICALS CORP. (US) 2007-04-03 US disclosed
US-7198884-B2 Heat stable photocurable resin composition for dry film resist CIBA SPECIALTY CHEMICALS CORP. (US) 2007-04-03 US disclosed
US-20070054220-A1 Polymeric material, containing a latent acid HENEGHAN MICHAEL 2007-03-08 US disclosed
US-20070054220-A1 Polymeric material, containing a latent acid HENEGHAN MICHAEL 2007-03-08 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-10160732-B2 MIF inhibitors MIF, MSR1, MMP12 CYP1A2 1109/4885CYP2D6 1580/4885MAPK1 914/4885
US-20170029387-A1 MIF INHIBITORS MIF, MSR1, MMP12 CYP1A2 1109/4885CYP2D6 1580/4885MAPK1 914/4885

“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.