SCHEMBL232812

SCHEMBL232812

[CH2]c1ccccc1COC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
PDK2 Q15119 1/20 0.37
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
PRKCE Q02156 2/20 0.33
MYLK Q15746 2/20 0.33
ADRA1A P35348 2/20 0.33
PRKCG P05129 1/20 0.33
MAPT P10636 1/20 0.33
PRKCA P17252 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL648491 0.82 IDO1 (0.44) IDO1PDK2MEN1ALDH1A1HTT
SCHEMBL27836355 0.81 TSHR (0.35) IDO1ALDH1A1TSHR
SCHEMBL896087 0.77 MEN1 (0.34) MEN1KMT2A
SCHEMBL6829818 0.77 IDO1 (0.33) IDO1MEN1ALDH1A1KMT2ANPSR1
SCHEMBL15260633 0.76 PTPN1 (0.32) IDO1TDP1
SCHEMBL9235134 0.76 ABCB1 (0.50) IDO1ADRA1ASMN1; SMN2
SCHEMBL734879 0.75 KCNN4 (0.46) IDO1PDK2MEN1ALDH1A1HTT
Fluoride SCHEMBL1336323 0.74 IDO1 (0.36) IDO1PDK2MEN1ALDH1A1HTT
SCHEMBL6218727 0.74 L3MBTL1 (0.40) MEN1ALDH1A1KMT2ANPSR1MAPT
SCHEMBL8459673 0.73 GABRA1 (0.42) IDO1PDK2ALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 EP claimed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 US claimed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 EP claimed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 WO claimed
US-5426106-A Treatment of neurodegenerative diseases, schizophrenia, convulsions; selective non-competitive antagonists MERCK SHARP & DOHME LIMITED (GB) 1995-06-20 US claimed
US-5420155-A Treatment of nervous system disorders with derivatives of 4-hydroxy-2-(1H)-pyrrolones such as strokes, antiischemic agents or cardiovascular disorders MERCK SHARP & DOHME LTD. (GB) 1995-05-30 US claimed
JP-59044345-A None JP disclosed
US-11992012-B2 Diaminotriazine compounds BASF SE (DE) 2024-05-28 US disclosed
CN-111743901-B Spray-dried formulations 普尔莫凯恩股份有限公司 2023-09-12 CN disclosed
US-20220411364-A1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2022-12-29 US disclosed
US-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2021-06-24 US disclosed
CN-111743901-A Spray-dried formulations 普尔莫凯恩股份有限公司 2020-10-09 CN disclosed
EP-2647644-B1 2'-O-MODIFIED RNA WAVE LIFE SCIENCES JAPAN INC (JP) 2020-09-09 EP disclosed
EP-0620812-A1 QUINOLONE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1994-10-26 EP disclosed
US-5348962-A Nervous system disorders; schizophrenia MERCK SHARPE & DOHME LTD. 1994-09-20 US disclosed
WO-1993011115-A2 QUINOLONE DERIVATIVES AND THEIR USE AS NMDA AND AMPA RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-06-10 WO disclosed
EP-0481676-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-04-22 EP disclosed
EP-0295839-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-21 EP disclosed
JP-S5944345-A PREPARATION OPTICAL ACTIVE BETA-AMINO ACID AND ITS INTERMEDIATE TOYO JOZO CO LTD 1984-03-12 JP disclosed
US-4001284-A PRIMARY AMINES, 2,4-DIPHENOXY-5-SULFAMOYLBENZOIC ACID HOECHST AKTIENGESELLSCHAFT (DT) 1977-01-04 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 (3 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-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS DDT, DAZAP1, DDC IDO1 113/4885PDK2 441/4885MEN1 3474/4885
US-11992012-B2 Diaminotriazine compounds DDT, DAZAP1, DDC IDO1 113/4885PDK2 441/4885MEN1 3474/4885
US-20220411364-A1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS PTGER1, PTGER4, PTGER2 IDO1 2038/4885PDK2 1954/4885MEN1 3802/4885

“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.