SCHEMBL12879664

SCHEMBL12879664

CCC(C)(C)SCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
PRMT1 Q99873 1/20 0.68
TP53 P04637 1/20 0.42
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
RIPK1 Q13546 3/20 0.38
IDO1 P14902 2/20 0.38
LMNA P02545 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1654642 0.81 CYP1A2 (1.00) CYP2D6CYP1A2CYP3A4PRMT1SLC6A2
SCHEMBL11188983 0.81 CYP2D6 (0.66) CYP2D6CYP1A2CYP3A4PRMT1TP53
SCHEMBL5680420 0.79 CYP2D6 (0.63) CYP2D6CYP1A2CYP3A4PRMT1TP53
SCHEMBL14382767 0.79 POLB (0.57) CYP2D6CYP1A2CYP3A4PRMT1SLC6A2
Hydrochloric Acid SCHEMBL6899318 0.79 CYP1A2 (0.96) CYP2D6CYP1A2CYP3A4PRMT1SLC6A2
SCHEMBL18272090 0.78 CYP2D6 (0.61) CYP2D6CYP1A2CYP3A4PRMT1TP53
SCHEMBL7796812 0.78 CYP2D6 (0.61) CYP2D6CYP1A2CYP3A4PRMT1SLC6A2
SCHEMBL10920937 0.77 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4PRMT1TP53
SCHEMBL6431176 0.76 CYP3A4 (0.59) CYP2D6CYP1A2CYP3A4PRMT1RIPK1
SCHEMBL9800583 0.76 CYP2D6 (0.59) CYP2D6CYP1A2CYP3A4PRMT1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865208-B2 ATG7 inhibitors and the uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
WO-2012146125-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2012-11-01 WO disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
US-7396814-B2 Metallopeptide compositions for treatment of sexual dysfunction PALATIN TECHNOLOGIES, INC. (US) 2008-07-08 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 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 (5 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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO CYP2D6 54/4885CYP1A2 194/4885CYP3A4 139/4885
US-10865208-B2 ATG7 inhibitors and the uses thereof ATG7, BECN1, SQSTM1 CYP2D6 1295/4885CYP1A2 1833/4885CYP3A4 2100/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT CYP2D6 49/4885CYP1A2 4/4885CYP3A4 16/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CYP2D6 202/4885CYP1A2 111/4885CYP3A4 117/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT CYP2D6 49/4885CYP1A2 4/4885CYP3A4 16/4885

“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.