SCHEMBL12753178

SCHEMBL12753178

O=C(NC1CCCC1)c1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL1420203 0.83 DHODH (0.60) MAPTALDH1A1SMN1; SMN2DHODHKDM4E
SCHEMBL12753187 0.82 DHODH (0.49) MAPTALDH1A1SMN1; SMN2DHODHKDM4E
SCHEMBL12753165 0.82 DHODH (0.62) MAPTALDH1A1HPGDSMN1; SMN2DHODH
SCHEMBL1419745 0.78 KDM4E (0.46) MAPTTHRBALDH1A1HPGDSMN1; SMN2
SCHEMBL1481142 0.78 HPGD (0.46) MAPTALDH1A1HPGDSMN1; SMN2DHODH
SCHEMBL12753225 0.74 TP53 (0.42) MAPTSMN1; SMN2KDM4EMAPK1KMT2A
SCHEMBL12753317 0.74 ABL1 (0.41) PIM1PIM2CNR2
SCHEMBL12753219 0.72 GCK (0.44) PIM1
SCHEMBL12753222 0.72 OGA (0.44) PIM1
SCHEMBL21836091 0.72 POLR1A (0.57) ALDH1A1HPGDSMN1; SMN2TSHRKDM4E

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-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

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 PDE4B 1172/4885PDE4D 1289/4885MAPT 1015/4885

“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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