SCHEMBL1685610

SCHEMBL1685610

CCCCCCc1nc(O)nc(CCCCCC)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ TACR2 P21452 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SHBG P04278 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSPD1 P10809 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HSPE1 P61604 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TST Q16762 1/20 0.38

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
SCHEMBL8054011 0.82 PTGS2 (0.39) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1685611 0.80 KMT2A (0.41) ALDH1A1LMNAKCNH2MEN1KMT2A
SCHEMBL15306046 0.74 KCNH2 (0.32) LMNAHSD17B10KCNH2MEN1KMT2A
SCHEMBL15306040 0.74 KCNH2 (0.32) LMNAHSD17B10KCNH2MEN1KMT2A
SCHEMBL12539248 0.73 KCNH2 (0.39) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10815973 0.73 MEN1 (0.37) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL27769289 0.71 ALOX5 (0.41) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL29168795 0.70 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL8039222 0.70 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1685616 0.69 KCNH2 (0.53) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697256-B2 Composition comprising phosphorescent compound and light emitting device using the composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-04-15 — — US disclosed
EP-2116574-B1 COMPOSITION CONTAINING PYRIMIDINE COMPOUND AND LUMINESCENT ELEMENT EMPLOYING THE COMPOSITION SUMITOMO CHEMICAL CO (JP) 2013-07-10 — — EP disclosed
CN-101616986-B Composition containing pyrimidine compound and luminescent element employing the composition SUMITOMO CO LTD 2012-11-28 — — CN disclosed
CN-102105530-A Composition comprising phosphorescence emitting compound, and light emitting element using the composition SUMITOMO CHEMICAL CO 2011-06-22 — — CN disclosed
US-20110127467-A1 COMPOSITION COMPRISING PHOSPHORESCENT COMPOUND AND LIGHT EMITTING DEVICE USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-02 — — US disclosed
EP-2308926-A1 COMPOSITION COMPRISING PHOSPHORESCENCE EMITTING COMPOUND, AND LIGHT EMITTING ELEMENT USING THE COMPOSITION Sumitomo Chemical Company, Limited (JP) 2011-04-13 — — EP disclosed
US-20100019203-A1 COMPOSITION CONTAINING PYRIMIDINE COMPOUND AND LUMINESCENT ELEMENT EMPLOYING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-28 — — US disclosed
CN-101616986-A Contain the composition of pyrimidine compound and the luminous element that uses said composition to obtain SUMITOMO CHEMICAL CO 2009-12-30 — — CN disclosed
EP-2116574-A1 COMPOSITION CONTAINING PYRIMIDINE COMPOUND AND LUMINESCENT ELEMENT EMPLOYING THE COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-11-11 — — 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-20110127467-A1 COMPOSITION COMPRISING PHOSPHORESCENT COMPOUND AND LIGHT EMITTING DEVICE USING THE COMPOSITION CCNE2, CDCA2, CCNA2 PTGS2 3474/4885ESR1 317/4885ADRA2A 3648/4885

“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.

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