SCHEMBL12351215

SCHEMBL12351215

Cc1[nH]c2ccccc2c1/C=C(\C#N)c1nc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.65
▸ MEN1 O00255 9/20 0.65
▸ KMT2A Q03164 9/20 0.65
▸ NPSR1 Q6W5P4 3/20 0.65
▸ KDM4E B2RXH2 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ NPC1 O15118 6/20 0.61
▸ RAB9A P51151 6/20 0.61
▸ POLB P06746 6/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ NFKB2 Q00653 1/20 0.61
▸ RELA Q04206 1/20 0.61
▸ THRB P10828 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.57
▸ NSD2 O96028 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ USP2 O75604 2/20 0.55
▸ TNNI3 P19429 1/20 0.55

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
SCHEMBL27983608 0.78 MAPT (0.82) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL5594404 0.77 APP (0.64) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL10476376 0.77 MEN1 (0.67) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL10476383 0.76 KMT2A (0.73) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL10476385 0.76 KMT2A (0.73) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL24554021 0.75 MAPT (0.60) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL30811101 0.75 MAPT (0.60) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL12351279 0.75 MEN1 (0.65) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL10476384 0.74 THRB (0.79) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL1902176 0.74 MAPT (0.62) MAPTMEN1KMT2ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998974-B2 Fused heterocyclic compounds and their use as sirtuin modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2011-08-16 — — US disclosed
US-7998974-B2 Fused heterocyclic compounds and their use as sirtuin modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2011-08-16 — — US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 — — US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 — — US disclosed
US-20090143376-A1 Fused Heterocyclic Compounds and Their Use as Sirtuin Modulators SITRIS PHARMACEUTICALS, INC. (US) 2009-06-04 — — US disclosed
US-20090143376-A1 Fused Heterocyclic Compounds and Their Use as Sirtuin Modulators SITRIS PHARMACEUTICALS, INC. (US) 2009-06-04 — — 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 (2 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-20090143376-A1 Fused Heterocyclic Compounds and Their Use as Sirtuin Modulators SIRT1, SIRT3, SIRT2 MAPT 215/4885MEN1 4100/4885KMT2A 743/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B MAPT 1946/4885MEN1 2682/4885KMT2A 422/4885

“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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