SCHEMBL2983654

SCHEMBL2983654

Cc1ccc(C(=O)c2cn(Cc3ccc(CO[C@H](C)C(=O)O)cc3)c3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.64
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MAPT P10636 4/20 0.50
▸ THRB P10828 1/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HTT P42858 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL2975766 0.91 TP53 (0.60) TP53ALDH1A1LMNAMAPTTHRB
SCHEMBL14409113 0.88 TP53 (0.61) TP53ALDH1A1LMNAMAPTTHRB
SCHEMBL2982108 0.87 TP53 (0.48) TP53ALDH1A1LMNAMAPTTHRB
SCHEMBL2982105 0.87 TP53 (0.48) TP53ALDH1A1LMNAMAPTTHRB
SCHEMBL2978533 0.87 HDAC1 (0.48) TP53ALDH1A1LMNAMAPTTHRB
SCHEMBL2972713 0.86 TP53 (0.56) TP53ALDH1A1LMNAMAPTTHRB
SCHEMBL2972715 0.86 TP53 (0.56) TP53ALDH1A1LMNAMAPTTHRB
SCHEMBL2981213 0.82 TP53 (0.52) TP53ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2981167 0.82 GAA (0.47) TP53ALDH1A1LMNAMAPTTHRB
SCHEMBL2971926 0.81 TP53 (0.71) TP53ALDH1A1LMNAMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 — — US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 — — EP 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 TP53 4037/4885ALDH1A1 631/4885LMNA 1680/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 TP53 4340/4885ALDH1A1 699/4885LMNA 1803/4885

“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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