SCHEMBL5856532

SCHEMBL5856532

Cc1cccc(C(=O)NCC(C)O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.73
KMT2A Q03164 4/20 0.63
GAA P10253 1/20 0.63
HSD17B10 Q99714 1/20 0.63
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
GPR139 Q6DWJ6 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 3/20 0.53
KCNK3 O14649 1/20 0.53
KCNH2 Q12809 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
TP53 P04637 2/20 0.51
LMNA P02545 2/20 0.51
FFAR1 O14842 1/20 0.50

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
SCHEMBL9717443 0.90 GAA (0.77) ATMKMT2AGAAHSD17B10HDAC8
SCHEMBL1753831 0.89 KMT2A (0.81) ATMKMT2AGAAHSD17B10HDAC8
SCHEMBL25872479 0.84 ATM (0.68) ATMKMT2AGAAHSD17B10HDAC8
SCHEMBL14198235 0.83 ATM (0.63) ATMKMT2AGAAHSD17B10HDAC8
SCHEMBL16879593 0.83 HSD17B10 (0.61) ATMKMT2AGAAHSD17B10NPC1
SCHEMBL2290271 0.83 GAA (0.61) ATMKMT2AGAAHSD17B10NPC1
SCHEMBL13018952 0.81 ATM (0.65) ATMKMT2AGAAHSD17B10HDAC8
SCHEMBL8506869 0.81 NPC1 (0.66) KMT2AGAAHSD17B10NPC1RAB9A
SCHEMBL8507006 0.81 NPC1 (0.66) KMT2AGAAHSD17B10NPC1RAB9A
SCHEMBL3377096 0.81 NPC1 (0.66) KMT2AGAAHSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP disclosed
US-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 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 (4 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB ATM 2463/4885KMT2A 1723/4885GAA 565/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE ATM 3285/4885KMT2A 2137/4885GAA 804/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC ATM 3681/4885KMT2A 2456/4885GAA 780/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC ATM 3681/4885KMT2A 2456/4885GAA 780/4885

“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.