SCHEMBL13526985

SCHEMBL13526985

CC(C)(C)CCCCc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP51A1 Q16850 1/20 0.38
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ ALB P02768 5/20 0.34
▸ SPHK1 Q9NYA1 2/20 0.34
▸ LTB4R Q15722 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL20198792 0.88 PTGS2 (0.41) CYP51A1CA1CA2CA5ACA9
SCHEMBL16479570 0.81 CYP3A4 (0.49) CA2TP53PTGS2CNR1CYP3A4
SCHEMBL28465669 0.79 PTGS2 (0.52) TP53PTGS2CNR1CYP3A4CYP2D6
SCHEMBL14394949 0.79 CYP3A4 (0.49) CYP51A1CA1CA2TP53PTGS2
SCHEMBL30874461 0.78 CYP51A1 (0.49) CYP51A1CA1CA2CA5ACA9
SCHEMBL14945526 0.77 ESR1 (0.47) CYP51A1CA1CA2CA5ACA9
SCHEMBL13526996 0.77 PPARA (0.44) CA1CA2CA5ACA9CA5B
SCHEMBL14080289 0.75 TP53 (0.43) CYP51A1CA1CA2CA5ACA9
SCHEMBL15290259 0.74 PTGS2 (0.44) CYP51A1CA1CA2CA5ACA9
SCHEMBL28679219 0.74 KCNH2 (0.41) TP53PTGS2KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 — — US disclosed
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 — — US disclosed
US-9085600-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-07-21 — — US disclosed
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2014-04-03 — — US disclosed
US-8470985-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2013-06-25 — — US disclosed
US-20100016955-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 — — 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-20100016955-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, VIP CYP51A1 28/4885CA1 3327/4885CA2 3823/4885
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 CYP51A1 19/4885CA1 3502/4885CA2 3747/4885
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same PROKR1, ARG1, ARG2 CYP51A1 19/4885CA1 3502/4885CA2 3747/4885
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 CYP51A1 19/4885CA1 3502/4885CA2 3747/4885

“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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