SCHEMBL4598796

SCHEMBL4598796

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.58
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP13 P45452 3/20 0.45
MMP2 P08253 2/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ABL1 P00519 1/20 0.43

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
Hydrochloric Acid SCHEMBL4599291 0.99 XDH (0.57) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL4598304 0.87 XDH (0.53) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL6282515 0.87 XDH (0.53) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL4598301 0.87 XDH (0.53) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL6517075 0.83 KDM4E (0.63) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL6515598 0.81 XDH (0.56) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL7856278 0.81 XDH (0.56) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL28486126 0.80 KDM4E (0.55) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL6246398 0.79 XDH (0.52) XDHKDM4EALDH1A1RAB9ALMNA
SCHEMBL4598028 0.79 XDH (0.52) XDHKDM4EALDH1A1RAB9ALMNA

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 13 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-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
US-20040235833-A1 Indole derivatives useful for the treatment of diseases PFIZER INC 2004-11-25 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 (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 2028/4885ALDH1A1 549/4885
US-20040235833-A1 Indole derivatives useful for the treatment of diseases IDO1, IDO2, INMT XDH 416/4885KDM4E 2028/4885ALDH1A1 549/4885

“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.