SCHEMBL12351248

SCHEMBL12351248

N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 1.00
▸ POLB P06746 10/20 1.00
▸ MEN1 O00255 10/20 1.00
▸ KMT2A Q03164 10/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ NPC1 O15118 5/20 1.00
▸ RAB9A P51151 5/20 1.00
▸ KDM4E B2RXH2 5/20 1.00
▸ THRB P10828 4/20 1.00
▸ TDP1 Q9NUW8 4/20 1.00
▸ LMNA P02545 4/20 1.00
▸ RECQL P46063 4/20 1.00
▸ MAPK1 P28482 3/20 1.00
▸ NPSR1 Q6W5P4 3/20 1.00
▸ TP53 P04637 9/20 0.74
▸ BLM P54132 3/20 0.74
▸ XBP1 P17861 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.58
▸ CRHBP P24387 1/20 0.57

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
SCHEMBL6721359 0.89 MAPT (0.81) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6721369 0.86 MAPT (0.82) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6721418 0.86 MAPT (0.79) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6721389 0.85 MAPT (1.00) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6721415 0.84 MAPT (1.00) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6721420 0.79 MAPT (0.80) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL12127306 0.79 MAPT (0.69) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL14581052 0.78 MAPT (0.65) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6721437 0.77 MAPT (0.79) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL880463 0.75 GAA (0.74) MAPTPOLBMEN1KMT2ASMN1; SMN2

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 215/4885POLB 1489/4885MEN1 4100/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B MAPT 1946/4885POLB 201/4885MEN1 2682/4885

“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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