SCHEMBL4598304

SCHEMBL4598304

CC[C@H](N)Cc1ccc2[nH]c(C(=O)OC)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.53
KDM4E B2RXH2 6/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 4/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MMP13 P45452 5/20 0.46
MMP2 P08253 4/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MMP14 P50281 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
MAPT P10636 3/20 0.41

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
SCHEMBL6282515 1.00 XDH (0.53) XDHKDM4ERAB9AALDH1A1NPC1
SCHEMBL4598301 1.00 XDH (0.53) XDHKDM4ERAB9AALDH1A1NPC1
SCHEMBL4598796 0.87 XDH (0.58) XDHKDM4ERAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL4599291 0.86 XDH (0.57) XDHKDM4ERAB9AALDH1A1NPC1
SCHEMBL6517075 0.84 KDM4E (0.63) XDHKDM4ERAB9AALDH1A1NPC1
SCHEMBL28486126 0.80 KDM4E (0.55) XDHKDM4ERAB9AALDH1A1NPC1
SCHEMBL6515598 0.79 XDH (0.56) XDHKDM4ERAB9AALDH1A1NPC1
SCHEMBL7856278 0.79 XDH (0.56) XDHKDM4ERAB9AALDH1A1NPC1
SCHEMBL4600036 0.77 XDH (0.49) XDHKDM4ERAB9AALDH1A1NPC1
SCHEMBL4600029 0.77 XDH (0.49) XDHKDM4ERAB9AALDH1A1NPC1

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
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
US-7183294-B2 Indole derivatives useful for the treatment of diseases PFIZER INC. (US) 2007-02-27 US disclosed
US-7138527-B2 Inflammatory, allergic and respiratory disorders; beta 2 adrenoceptors agonists; such as 5-(-2-((-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethyl)amino)propyl) -N-(2-methoxybenzyl)-1H-indole-2-carboxamide PFIZER INC. (US) 2006-11-21 US disclosed
US-20050085526-A1 Indole derivatives useful for the treatment of diseases BROWN ALAN D (GB) 2005-04-21 US disclosed
US-6844362-B2 Indole derivatives useful for the treatment of diseases PFIZER INC (US) 2005-01-18 US disclosed
US-20040235833-A1 Indole derivatives useful for the treatment of diseases PFIZER INC 2004-11-25 US disclosed
US-20040116503-A1 Indole derivatives useful for the treatment of diseases PFIZER INC. 2004-06-17 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-20050085526-A1 Indole derivatives useful for the treatment of diseases IDO1, IDO2, INMT XDH 416/4885KDM4E 2028/4885RAB9A 3309/4885
US-20040235833-A1 Indole derivatives useful for the treatment of diseases IDO1, IDO2, INMT XDH 416/4885KDM4E 2028/4885RAB9A 3309/4885

“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.