SCHEMBL2485799

SCHEMBL2485799

COc1ccc(-c2n[nH]c(S)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49
KDM4E B2RXH2 3/20 0.47
CLK4 Q9HAZ1 1/20 0.47
NOTUM Q6P988 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 1/20 0.46
ROCK2 O75116 1/20 0.46
GRK2 P25098 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
DYRK1A Q13627 1/20 0.44
SCN4A P35499 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL3483992 0.80 NR1H2 (0.67) XDHCLK4NOTUMDYRK1ANR1H2
SCHEMBL15117068 0.80 KDM4E (0.67) XDHKDM4ECLK4MEN1KMT2A
SCHEMBL1036436 0.80 HDAC3 (0.53) XDHKDM4ECLK4MEN1KMT2A
SCHEMBL19127978 0.79 KDM4E (0.56) XDHKDM4ECLK4MEN1KMT2A
SCHEMBL1041941 0.76 ROCK2 (0.57) XDHKDM4ECLK4MEN1KMT2A
SCHEMBL7200528 0.76 NR1H2 (0.56) NOTUMTP53ROCK2GRK2NPC1
SCHEMBL657644 0.75 NR1H2 (0.61) MEN1KMT2AMAPTTP53NPC1
SCHEMBL15025693 0.75 NR1H2 (0.73) KDM4EMEN1KMT2AMAPTTP53
SCHEMBL338452 0.74 CLK4 (0.64) XDHKDM4ECLK4MEN1KMT2A
SCHEMBL15025694 0.73 KDM4E (0.58) KDM4EKMT2AMAPTTP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376402-B2 1, 2, 4-triazole derivatives and their anti-microbial activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-28 US disclosed
CN-102858755-B 1,2,4-triazole derivative and anti-mycobacterium activity thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-25 CN disclosed
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY COUNCIL SCIENT IND RES (IN) 2015-03-12 US disclosed
US-8865910-B2 1, 2, 4-triazole derivatives and their anti mycobacterial activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-21 US disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
WO-2013074059-A2 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-23 WO disclosed
US-20130060045-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-03-07 US disclosed
CN-102858755-A 1, 2, 4-triazole derivatives and their anti mycobacterial activity COUNCIL SCIENT IND RES 2013-01-02 CN disclosed
WO-2011111077-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-15 WO disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
CN-101522192-A Substituted imidazolone derivatives, preparation and uses GENFIT (FR) 2009-09-02 CN 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-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES IPO5, PPIP5K2, IPO4 XDH 628/4885KDM4E 2600/4885CLK4 1179/4885
US-20130060045-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY NAT1, CBR3, NOX3 XDH 31/4885KDM4E 4437/4885CLK4 3141/4885
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY CYP51A1, TALDO1, IL33 XDH 357/4885KDM4E 4127/4885CLK4 2312/4885
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION CDA, DCTD, ADA XDH 756/4885KDM4E 1984/4885CLK4 4701/4885

“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.