SCHEMBL564329

SCHEMBL564329

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.42
PKM P14618 3/20 0.42
LMNA P02545 2/20 0.42
MTOR P42345 1/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX15 P16050 1/20 0.40
CXCR4 P61073 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL15742427 0.84 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL6883125 0.84 CXCR4 (0.42) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL15742852 0.82 RAB9A (0.40) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL6878662 0.82 CXCR4 (0.41) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL6439248 0.82 CXCR4 (0.41) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL563422 0.78 NPC1 (0.37) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL563917 0.73 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL7139490 0.72 CXCR4 (0.37) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL6872828 0.71 CBFB (0.39) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL7288146 0.71 POLB (0.45) RAB9ANPC1SMN1; SMN2HPGDPKM

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 65 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
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
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-02-05 US claimed
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-2342175-B1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NITROGENIX INC (VG) 2015-05-27 EP disclosed
US-8846674-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX, S.A. (FR) 2014-09-30 US disclosed
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE FARBER MICHAEL (US) 2014-02-27 US disclosed
US-20130317094-A1 USE OF ELLAGITANNINS AS INHIBITORS OF BACTERIAL QUORUM SENSING THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2013-11-28 US disclosed
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. 2012-02-09 US disclosed
US-8067464-B2 Compositions and methods using apocynin compounds and nitric oxide donors NITROMED, INC. (US) 2011-11-29 US disclosed
US-8067414-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX S.A. (FR) 2011-11-29 US disclosed
WO-2005030135-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-04-07 WO disclosed
WO-2005023183-A2 NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-17 WO disclosed
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2005-03-17 US disclosed
WO-2005023182-A2 NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-17 WO disclosed
WO-2005018561-A2 NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-03 WO disclosed
WO-2004024186-A2 TREATMENT OF CYCLOOXYGENASE-3 MEDIATED DISEASES AND DISORDERS NITROMED, INC. (US) 2004-03-25 WO disclosed
WO-2004012659-A2 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-02-12 WO disclosed
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-02-05 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 (6 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-20130317094-A1 USE OF ELLAGITANNINS AS INHIBITORS OF BACTERIAL QUORUM SENSING QSOX1, QARS1, GMPS RAB9A 1117/4885NPC1 4668/4885SMN1; SMN2 4856/4885
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, PTGS1 RAB9A 2457/4885NPC1 849/4885SMN1; SMN2 1781/4885
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NOS1, PTGS1, NOS2 RAB9A 1040/4885NPC1 1662/4885SMN1; SMN2 4312/4885
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use REN, NOS1, NOS3 RAB9A 1847/4885NPC1 439/4885SMN1; SMN2 3461/4885
US-20040266828-A1 Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use NOS2, NOS1, PTGS2 RAB9A 990/4885NPC1 3855/4885SMN1; SMN2 4182/4885
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 RAB9A 1924/4885NPC1 2683/4885SMN1; SMN2 2146/4885

“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.