SCHEMBL1893489

SCHEMBL1893489

CCc1ccc(-n2ccnc2)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
TBXAS1 P24557 5/20 0.43
STING1 Q86WV6 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ADH5 P11766 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL16158531 0.82 ADH5 (0.46) MAOBTBXAS1STING1SMN1; SMN2ADH5
SCHEMBL15174944 0.81 CSNK2A1 (0.45) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL11084791 0.81 TP53 (0.44) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL28766887 0.78 ADH5 (0.47) STING1ADH5DHODHCYP3A4BAZ2B
SCHEMBL28907894 0.77 ADH5 (0.46) STING1ADH5DHODHCYP3A4BAZ2B
SCHEMBL19893859 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL1585985 0.76 HTT (0.48) PDE4APDE4BPDE4CPDE4DTBXAS1
SCHEMBL23627980 0.76 STING1 (0.70) STING1LMNAKDM4EL3MBTL1CYP3A4
SCHEMBL16441978 0.74 CYP19A1 (0.57) ALDH1A1LMNAKDM4ETP53TSHR
SCHEMBL726313 0.74 IDO1 (0.59) ALDH1A1LMNAADH5HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254871-B1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS UNIV DRESDEN TECH (DE) 2016-11-09 EP disclosed
US-9260397-B2 Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2016-02-16 US disclosed
US-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2011-05-05 US disclosed
EP-2254871-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS Technische Universität Dresden (DE) 2010-12-01 EP disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 WO 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 (1 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-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof RDX, HAX1, CHRM2 MAOB 1429/4885PDE4A 4488/4885PDE4B 4351/4885

“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.