SCHEMBL2531742

SCHEMBL2531742

c1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 9/20 1.00
LMNA P02545 3/20 1.00
ALDH1A1 P00352 2/20 1.00
GAA P10253 2/20 1.00
CASP3 P42574 1/20 1.00
SENP8 Q96LD8 1/20 1.00
SENP7 Q9BQF6 1/20 1.00
SENP6 Q9GZR1 1/20 1.00
NR1H2 P55055 6/20 0.85
SMN1; SMN2 Q16637 3/20 0.82
RAB9A P51151 3/20 0.82
NPC1 O15118 2/20 0.82
CYP1A2 P05177 1/20 0.82
CYP3A4 P08684 1/20 0.82
CYP2C9 P11712 1/20 0.82
CYP2C19 P33261 1/20 0.82
L3MBTL1 Q9Y468 2/20 0.69
POLB P06746 2/20 0.69
TSHR P16473 1/20 0.52
TDP2 O95551 1/20 0.49

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
SCHEMBL13921715 0.96 NR1H3 (0.93) NR1H3LMNAALDH1A1GAACASP3
SCHEMBL11597502 0.90 NR1H3 (0.82) NR1H3LMNAALDH1A1GAACASP3
SCHEMBL2531528 0.89 NR1H3 (0.91) NR1H3LMNAALDH1A1GAACASP3
SCHEMBL19196297 0.89 NR1H3 (0.79) NR1H3LMNAALDH1A1GAACASP3
SCHEMBL22688433 0.87 NR1H3 (0.77) NR1H3LMNAALDH1A1GAACASP3
SCHEMBL31272383 0.85 NR1H3 (0.73) NR1H3LMNAALDH1A1GAACASP3
SCHEMBL17336951 0.85 NR1H3 (0.75) NR1H3LMNAALDH1A1GAACASP3
SCHEMBL2359155 0.81 LMNA (0.68) NR1H3LMNAALDH1A1GAACASP3
SCHEMBL13952026 0.81 NR1H3 (0.68) NR1H3LMNAALDH1A1GAACASP3
SCHEMBL17336721 0.81 NR1H3 (0.66) NR1H3LMNAALDH1A1GAACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632914-B2 Triazolium and imidazolium salts and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2014-01-21 US disclosed
US-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2011-10-20 US disclosed
WO-2010025558-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF AS ANTIMALARIALS UNIVERSITY HAEALTH NETWORK (CA) 2010-03-11 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-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF ARG2, ARG1, CIT NR1H3 1848/4885LMNA 2957/4885ALDH1A1 3979/4885

“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.