SCHEMBL6525915

SCHEMBL6525915

Nc1c(-c2ccc(O)cc2)nnn1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.48
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.44
SLC16A3 O15427 2/20 0.41
SLC16A1 P53985 2/20 0.41
MCTS1 Q9ULC4 2/20 0.41
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6516191 0.84 POLB (0.54) SLC9A1TP53MAPTPOLBMEN1
SCHEMBL3411785 0.79 GRM2 (0.47) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL11651616 0.66 KDM4E (0.53) SLC9A1TP53POLBNPC1RAB9A
SCHEMBL4852086 0.66 NPC1 (0.49) TP53SLC16A3SLC16A1MCTS1NPC1
SCHEMBL6580285 0.66 POLB (0.58) SLC9A1TP53POLBSLC16A3SLC16A1
SCHEMBL8447191 0.65 CYP1A2 (0.54) SLC9A1TP53MAPTPOLBSLC16A3
SCHEMBL12787321 0.65 HPGD (0.58) SLC9A1TP53POLBNPC1MEN1
SCHEMBL16175846 0.64 TSHR (0.54) TP53MAPTSLC16A3SLC16A1MCTS1
SCHEMBL28490760 0.64 IDO1 (0.58) MAPTPOLBMEN1KMT2ACYP1A2
SCHEMBL3186053 0.63 PTGER1 (0.48) SLC9A1TP53POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060017-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 US claimed
US-20110060017-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 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 (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-20110060017-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNA5, CHRNB3 SLC9A1 3567/4885TP53 4824/4885MAPT 752/4885

“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.