Sugi Predict

Sugi Predict / Compounds / SCHEMBL563422

SCHEMBL563422

SCHEMBL563422

[O-][S+](c1nc2ccccc2[nH]1)C(c1ccccn1)c1ccc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ PKM P14618 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MTOR P42345 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ GBA1 P04062 1/20 0.34
▸ CXCR4 P61073 1/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2E1 P05181 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
SCHEMBL564329 0.78 RAB9A (0.42) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL15742427 0.78 RAB9A (0.42) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL6883125 0.78 CXCR4 (0.42) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL15742852 0.76 RAB9A (0.40) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL6878662 0.76 CXCR4 (0.41) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL6439248 0.76 CXCR4 (0.41) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL4792655 0.71 POLB (0.36) RAB9AALDH1A1KMT2ASLC6A3CYP1A2
SCHEMBL7139490 0.69 CXCR4 (0.37) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL563917 0.67 RAB9A (0.47) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL6880554 0.66 TRPV1 (0.37) NPC1RAB9ASMN1; SMN2HPGDMETAP2

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 NPC1 1662/4885RAB9A 1040/4885SMN1; SMN2 4312/4885
US-20040266828-A1 Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use NOS2, NOS1, PTGS2 NPC1 3855/4885RAB9A 990/4885SMN1; SMN2 4182/4885

“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.