SCHEMBL563423

SCHEMBL563423

[O-][S+](Cc1ccccn1)c1nc2ccc(-c3ccc[nH]3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.37
CYP1A2 P05177 6/20 0.36
CYP2E1 P05181 6/20 0.36
CYP2C8 P10632 6/20 0.36
CYP2D6 P10635 6/20 0.36
CYP2C9 P11712 6/20 0.36
CYP2B6 P20813 6/20 0.36
CYP2C19 P33261 6/20 0.36
CYP3A4 P08684 5/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F7 P08709 1/20 0.35
CBFB Q13951 7/20 0.33
METAP2 P50579 4/20 0.33
METAP1 P53582 3/20 0.33
SCD O00767 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL6877250 0.82 METAP2 (0.51) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL11373497 0.81 KDM4E (0.48) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6872775 0.80 CBFB (0.51) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6872821 0.80 CYP1A2 (0.57) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Timoprazole SCHEMBL464728 0.79 CYP1A2 (0.51) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Timoprazole SCHEMBL9247237 0.79 CYP1A2 (0.51) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Timoprazole SCHEMBL563458 0.79 CYP1A2 (0.51) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6441728 0.78 CYP1A2 (0.41) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Timoprazole SCHEMBL9244884 0.78 CYP1A2 (0.50) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Timoprazole SCHEMBL11245124 0.78 CYP1A2 (0.50) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211590-B2 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-05-01 US claimed
EP-1534278-A4 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-09-06 EP claimed
JP-2005539013-A 2005-12-22 JP claimed
EP-1534278-A2 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-01 EP claimed
EP-1154771-A4 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-04-20 EP claimed
US-6852739-B1 Methods using proton pump inhibitors and nitric oxide donors NITROMED INC. (US) 2005-02-08 US claimed
US-20040266828-A1 Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-12-30 US claimed
WO-2004012659-A2 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-02-12 WO claimed
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-02-05 US claimed
JP-2002537336-A 2002-11-05 JP claimed
EP-1154771-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-11-21 EP claimed
US-6280773-B1 ACTIVE INGREDIENT, ALKALI STABILIZER AND WATER SOLUBLE POLYMER IL YANG PHARM. CO., LTD. (KR) 2001-08-28 US claimed
WO-2000050037-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-08-31 WO claimed
WO-2024117493-A1 ORAL IMMEDIATE-RELEASE FORMULATION COMPRISING ILAPRAZOLE WITH IMPROVED STABILITY AS ACTIVE INGREDIENT AND METHOD FOR PREPARING SAME 국민대학교산학협력단 2024-06-06 WO disclosed
EP-3568133-B1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH ZUERICH (CH) 2023-12-13 EP disclosed
US-9085508-B2 Nitric oxide releasing amino acid ester compound, composition and method of use ORAL DELIVERY TECHNOLOGY LTD. (US) 2015-07-21 US disclosed
EP-0696281-A1 NOVEL 5-PYRROLYL-2-PYRIDYLMETHYLSULFINYL BENZIMIDAZOLE DERIVATIVES IL-YANG PHARM. CO., LTD. (KR) 1996-02-14 EP disclosed
EP-0696281-A1 NOVEL 5-PYRROLYL-2-PYRIDYLMETHYLSULFINYL BENZIMIDAZOLE DERIVATIVES IL-YANG PHARM. CO., LTD. (KR) 1996-02-14 EP disclosed
WO-1995023140-A1 NOVEL 5-PYRROLYL-2-PYRIDYLMETHYLSULFINYL BENZIMIDAZOLE DERIVATIVES IL-YANG PHARM. CO., LTD. (KR) 1995-08-31 WO disclosed
WO-1995023140-A1 NOVEL 5-PYRROLYL-2-PYRIDYLMETHYLSULFINYL BENZIMIDAZOLE DERIVATIVES IL-YANG PHARM. CO., LTD. (KR) 1995-08-31 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 (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-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NOS1, PTGS1, NOS2 QPCT 1088/4885CYP1A2 445/4885CYP2E1 132/4885
US-20040266828-A1 Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use NOS2, NOS1, PTGS2 QPCT 1440/4885CYP1A2 163/4885CYP2E1 119/4885

“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.