SCHEMBL7531002

SCHEMBL7531002

CC[S+]([O-])c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
KCNA5 P22460 2/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL8778184 0.84 KCNA5 (0.36) KDM4ECYP1A2LMNAPOLBCCR1
SCHEMBL11639333 0.81 CYP2D6 (0.39) KDM4ECYP1A2LMNAKCNA5KCNH2
SCHEMBL5712290 0.80 LMNA (0.39) KDM4ECYP1A2LMNAKCNA5KCNH2
SCHEMBL4687369 0.79 LMNA (0.36) KDM4ECYP1A2LMNAPOLBCCR1
SCHEMBL4687366 0.79 HDAC8 (0.38) KDM4ECYP1A2LMNAPOLBCCR1
SCHEMBL5249553 0.79 KDM4E (0.36) KDM4ECYP1A2LMNAPOLBCCR1
SCHEMBL796890 0.79 GPR39 (0.35) KDM4ECYP1A2LMNAPOLBCCR1
SCHEMBL19385924 0.76 FABP1 (0.39) KDM4ECYP1A2LMNAPOLBCCR1
SCHEMBL4685183 0.76 LMNA (0.33) KDM4ECYP1A2LMNAPOLBCCR1
SCHEMBL3793358 0.76 FABP1 (0.39) KDM4ECYP1A2LMNAPOLBCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
EP-1934238-B1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2017-06-28 EP disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 US disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 US disclosed
US-9006189-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-9006189-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-8563763-B2 Composition, synthesis and use of isonitriles DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2013-10-22 US disclosed
WO-2008143729-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
WO-2008106224-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
WO-2008106204-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X-PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
WO-2008106226-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
WO-2007025284-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
WO-2002016570-A1 DMS:ACCEPTOR OXIDOREDUCTASE THE UNIVERSITY OF QUEENSLAND (AU) 2002-02-28 WO disclosed
WO-2000058320-A1 PYRIDINE.IMINE POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 2000-10-05 WO disclosed
EP-0795023-A1 A PROCESS FOR PRODUCING SULPHOXIDE ENRICHED IN THE (R) OR THE (S) ENANTIOMER ZENECA LIMITED (GB) 1997-09-17 EP disclosed
WO-1996017075-A1 A PROCESS FOR PRODUCING SULPHOXIDE ENRICHED IN THE (R) OR THE (S) ENANTIOMER ZENECA LIMITED (GB) 1996-06-06 WO disclosed
US-4120692-A Thio pyridine N-oxides and regulation of the natural growth and development of plants therewith UNIROYAL, INC. (US) 1978-10-17 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 (3 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-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP KDM4E 4532/4885CYP1A2 658/4885LMNA 2995/4885
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP KDM4E 4532/4885CYP1A2 658/4885LMNA 2995/4885
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP KDM4E 4532/4885CYP1A2 658/4885LMNA 2995/4885

“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.