SCHEMBL12753225

SCHEMBL12753225

O=C(Nc1cccc(OCC(O)CO)c1)c1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 4/20 0.41
▸ P2RX1 P51575 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GPR142 Q7Z601 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ EPHB4 P54760 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A3 P47895 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
SCHEMBL1419904 0.91 EPHB4 (0.47) TP53KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL12753187 0.85 DHODH (0.49) TP53KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL1034121 0.82 P2RX1 (0.43) P2RX1MAPTFYN
SCHEMBL1420203 0.77 DHODH (0.60) TP53KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL1481142 0.77 HPGD (0.46) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL1035301 0.76 ABL1 (0.47) SMN1; SMN2KMT2A
SCHEMBL1419745 0.74 KDM4E (0.46) TP53KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL13187520 0.74 DHODH (0.43) SMN1; SMN2P2RX1MAPT
SCHEMBL13187341 0.74 DHODH (0.43) SMN1; SMN2P2RX1MAPT
SCHEMBL13187547 0.74 DHODH (0.43) SMN1; SMN2P2RX1MAPT

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-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 — — US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 — — US disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 — — 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-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 TP53 632/4885KDM4E 1754/4885RAB9A 825/4885

“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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