SCHEMBL3766335

SCHEMBL3766335

C[S+]([O-])n1c(-c2ccccn2)nc2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ METAP1 P53582 2/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ CBFB Q13951 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CCR1 P32246 2/20 0.36
▸ CCR5 P51681 2/20 0.36
▸ CCR8 P51685 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ BLM P54132 1/20 0.36

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
SCHEMBL637824 0.84 KDM4E (0.47) NPC1TSHRKDM4ECA12CA9
SCHEMBL10499384 0.72 CTSD (0.49) KMT2ANPC1TP53SMN1; SMN2TSHR
Dipyridyl SCHEMBL28172048 0.68 KDM4E (0.70) NPC1TP53SMN1; SMN2TSHRRAB9A
Dipyridyl SCHEMBL10393998 0.68 KDM4E (0.70) NPC1TP53SMN1; SMN2TSHRRAB9A
Dipyridyl SCHEMBL9872270 0.66 KDM4E (0.67) NPC1TP53SMN1; SMN2RAB9AMETAP1
SCHEMBL21534086 0.63 KMT2A (0.56) KMT2ANPC1TP53SMN1; SMN2RAB9A
SCHEMBL9611671 0.63 KMT2A (0.66) BACE1KMT2ANPC1TP53SMN1; SMN2
Dimethyl Sulfoxide SCHEMBL28835221 0.63 GRM5 (0.42) KMT2ANPC1SMN1; SMN2RAB9AMETAP1
SCHEMBL23131225 0.62 NPSR1 (0.39) BACE1KMT2ANPC1RAB9APOLB
Dipyridyl SCHEMBL28268549 0.61 KDM4E (0.82) NPC1TP53SMN1; SMN2TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ALEVIUM PHARMACEUTICALS, INC. 2010-12-16 — — 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-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ABCB11, ATP6AP1, CYP4B1 BACE1 4079/4885KMT2A 1889/4885NPC1 1358/4885

“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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