SCHEMBL404854

SCHEMBL404854

CCOC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.60
F7 P08709 1/20 0.60
F3 P13726 1/20 0.60
PYGL P06737 1/20 0.55
GABRP O00591 4/20 0.54
GABRD O14764 4/20 0.54
GABRA1 P14867 4/20 0.54
GABRB1 P18505 4/20 0.54
GABRG2 P18507 4/20 0.54
GABRB3 P28472 4/20 0.54
GABRA5 P31644 4/20 0.54
GABRA3 P34903 4/20 0.54
GABRA2 P47869 4/20 0.54
GABRB2 P47870 4/20 0.54
GABRA4 P48169 4/20 0.54
GABRE P78334 4/20 0.54
GABRA6 Q16445 4/20 0.54
GABRG1 Q8N1C3 4/20 0.54
GABRG3 Q99928 4/20 0.54
GABRQ Q9UN88 4/20 0.54

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
SCHEMBL4801726 0.89 NR4A2 (0.60) NR4A2F7F3
SCHEMBL5309810 0.86 NR4A2 (0.72) NR4A2F7F3PYGLGABRA1
SCHEMBL404920 0.86 LMNA (0.61) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL13013297 0.85 NR4A2 (0.74) NR4A2F7F3PYGLGABRP
SCHEMBL1993247 0.84 GABRA1 (0.67) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL1994694 0.84 ALDH1A1 (0.58) GABRA1GABRB1GABRA3GABRB2
SCHEMBL5912666 0.83 F7 (0.56) NR4A2F7F3PYGLGABRP
SCHEMBL5912662 0.83 F7 (0.56) NR4A2F7F3PYGLGABRP
SCHEMBL13727294 0.83 LMNA (0.64) NR4A2GABRPGABRDGABRA1GABRB1
SCHEMBL16765425 0.82 NR4A2 (0.61) NR4A2F7F3PYGLGABRP

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-7446122-B2 Substituted indole derivatives CEPHALON, INC. (US) 2008-11-04 US disclosed
US-7314886-B2 Tetrahydropyrano-indole derivatives CEPHALON, INC. (US) 2008-01-01 US disclosed
US-20070244180-A1 Substituted indole derivatives SALMEDIX, INC. 2007-10-18 US disclosed
US-20060166947-A1 Multiple myeloma treatments DANA-FARBER CANCER INSTITUTE, INC. 2006-07-27 US disclosed
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic SALMEDIX, INC. 2006-07-20 US disclosed
EP-1680428-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2006-07-19 EP disclosed
EP-1673373-A2 INDOLE DERIVATIVES Salmedix, Inc. (US) 2006-06-28 EP disclosed
WO-2005033112-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2005-04-14 WO disclosed
WO-2005033113-A2 INDOLE DERIVATIVES CEPHALON, INC (US) 2005-04-14 WO 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 (6 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-20070244180-A1 Substituted indole derivatives IDO1, IDO2, HTR3A NR4A2 2417/4885F7 4133/4885F3 2868/4885
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic IL6, OPRK1, PTGES3 NR4A2 961/4885F7 3530/4885F3 3755/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 NR4A2 755/4885F7 2622/4885F3 425/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 NR4A2 755/4885F7 2622/4885F3 425/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 NR4A2 755/4885F7 2622/4885F3 425/4885
US-20060166947-A1 Multiple myeloma treatments BCL6, MCL1, BCL6B NR4A2 3856/4885F7 3293/4885F3 2781/4885

“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.