SCHEMBL4598028

SCHEMBL4598028

COC(=O)c1cc2cc(C[C@@H](C)N[C@H](C)c3ccccc3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.52
ADRB2 P07550 5/20 0.50
SIGMAR1 Q99720 1/20 0.48
PYGL P06737 3/20 0.43
KDM4E B2RXH2 5/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6246398 1.00 XDH (0.52) XDHADRB2SIGMAR1PYGLKDM4E
Hydrochloric Acid SCHEMBL4599621 0.99 XDH (0.51) XDHADRB2SIGMAR1PYGLKDM4E
SCHEMBL4600029 0.91 XDH (0.49) XDHADRB2PYGLKDM4ELMNA
SCHEMBL4600036 0.91 XDH (0.49) XDHADRB2PYGLKDM4ELMNA
Hydrochloric Acid SCHEMBL5351849 0.90 XDH (0.48) XDHADRB2PYGLKDM4ELMNA
Hydrochloric Acid SCHEMBL5351844 0.90 XDH (0.48) XDHADRB2PYGLKDM4ELMNA
SCHEMBL4598796 0.79 XDH (0.58) XDHPYGLKDM4ELMNATP53
Hydrochloric Acid SCHEMBL4599291 0.78 XDH (0.57) XDHPYGLKDM4ELMNATP53
SCHEMBL6517075 0.76 KDM4E (0.63) XDHKDM4ELMNAL3MBTL1MAPT
SCHEMBL4426418 0.76 SIGMAR1 (0.60) SIGMAR1ALDH1A1

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-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
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-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
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO 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
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed
US-20040116503-A1 Indole derivatives useful for the treatment of diseases PFIZER INC. 2004-06-17 US disclosed
EP-1407769-A1 Indole derivatives as beta-2 agonists Pfizer Limited (GB) 2004-04-14 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 (1 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 416/4885ADRB2 70/4885SIGMAR1 3240/4885

“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.