SCHEMBL2550990

SCHEMBL2550990

N=C1Cc2ccccc2C(=O)C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.64
▸ CES1 P23141 3/20 0.59
▸ BCHE P06276 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MIF P14174 3/20 0.47
▸ MAOB P27338 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 3/20 0.44
▸ TDP2 O95551 2/20 0.44
▸ S100A4 P26447 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ CES2 O00748 1/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ TERT O14746 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PLIN1 O60240 1/20 0.44

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
SCHEMBL2319027 0.84 MAOA (0.90) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL18143 0.79 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL29357010 0.79 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL29448801 0.79 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL1527782 0.79 MAOA (1.00) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL5809328 0.77 CES1 (0.86) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL22574797 0.77 MAOA (0.95) MAOACES1BCHEALDH1A1CYP1A2
Anthraquinone SCHEMBL22026730 0.77 MAOA (0.95) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL30922196 0.77 MAOA (0.95) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL11259824 0.77 MAOA (0.95) MAOACES1BCHEALDH1A1CYP1A2

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-4180034-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS NADIANBIO Ltd. (KR) 2023-05-17 — — EP disclosed
US-10155973-B2 Methods for detecting organisms and enzymatic reactions using raman spectroscopy and aromatic compounds comprising phosphate SWORD DIAGNOSTICS, INC. (US) 2018-12-18 — — US disclosed
US-20150218615-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE SWORD DIAGNOSTICS, INC. (US) 2015-08-06 — — US disclosed
EP-2553117-A1 METHODS FOR DETECTING RAMAN SCATTERING USING AROMATIC COMPOUNDS COMPRISING PHOSPHATE AND AT LEAST ONE NON-LASER LIGHT SOURCE Sword Diagnostics, Inc. (US) 2013-02-06 — — EP disclosed
WO-2011123386-A1 METHODS FOR DETECTING RAMAN SCATTERING USING AROMATIC COMPOUNDS COMPRISING PHOSPHATE AND AT LEAST ONE NON-LASER LIGHT SOURCE KUNDU SAMAR KUMAR (US) 2011-10-06 — — WO disclosed
WO-2010096260-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE SWORD DIAGNOSTICS, INC. (US) 2010-08-26 — — WO disclosed
US-20100041016-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE SWORD DIAGNOSTICS, INC. 2010-02-18 — — 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 (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-20100041016-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE PNP, ARSA, PGLS MAOA 442/4885CES1 931/4885BCHE 719/4885

“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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