SCHEMBL4781504

SCHEMBL4781504

COc1cccc(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.77
▸ SMN1; SMN2 Q16637 6/20 0.77
▸ LMNA P02545 5/20 0.77
▸ RAB9A P51151 3/20 0.77
▸ POLB P06746 3/20 0.77
▸ GFER P55789 1/20 0.77
▸ ALDH1A1 P00352 9/20 0.73
▸ MAPT P10636 5/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ HPGD P15428 5/20 0.68
▸ MAPK1 P28482 2/20 0.66
▸ TP53 P04637 2/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ THRB P10828 2/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ MEN1 O00255 1/20 0.62
▸ SMO Q99835 1/20 0.62
▸ CASP3 P42574 1/20 0.60
▸ ALOX15 P16050 1/20 0.58
▸ TSHR P16473 1/20 0.58

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
SCHEMBL1494756 0.91 RAB9A (0.79) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL1494886 0.91 KDM4E (0.64) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL4727616 0.85 KDM4E (0.82) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL1494832 0.81 KDM4E (0.83) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL6389098 0.81 KDM4E (0.72) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL4726403 0.81 KDM4E (0.76) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25878632 0.81 KDM4E (0.74) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL980106 0.80 RAB9A (0.78) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25312016 0.80 ALDH1A1 (0.81) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL29484580 0.80 ALDH1A1 (0.81) KDM4ESMN1; SMN2LMNARAB9APOLB

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 7 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
WO-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 — — 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 (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 KDM4E 2241/4885SMN1; SMN2 1838/4885LMNA 2569/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B KDM4E 1406/4885SMN1; SMN2 981/4885LMNA 2234/4885

“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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