SCHEMBL3154116

SCHEMBL3154116

O=[N+]([O-])c1ccc(F)cc1N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.64
ALDH1A1 P00352 12/20 0.64
NPSR1 Q6W5P4 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP2C9 P11712 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
CTSB P07858 1/20 0.57
LMNA P02545 4/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL3718871 0.88 MAPT (0.63) MAPTALDH1A1NPSR1SMN1; SMN2CYP2C9
SCHEMBL28038246 0.86 ALDH1A1 (0.69) MAPTALDH1A1NPSR1SMN1; SMN2CYP2C9
SCHEMBL3538126 0.84 ALDH1A1 (0.68) MAPTALDH1A1NPSR1SMN1; SMN2CYP2C9
SCHEMBL22094803 0.84 ALDH1A1 (0.68) MAPTALDH1A1NPSR1SMN1; SMN2CYP2C9
SCHEMBL27646270 0.83 MAPT (0.53) MAPTALDH1A1NPSR1SMN1; SMN2CYP2C9
SCHEMBL5322795 0.82 ALDH1A1 (0.64) MAPTALDH1A1NPSR1SMN1; SMN2CYP2C9
SCHEMBL30953903 0.82 MAPT (0.64) MAPTALDH1A1NPSR1SMN1; SMN2CYP2C9
SCHEMBL7809569 0.82 MAPT (0.64) MAPTALDH1A1NPSR1SMN1; SMN2CYP2C9
SCHEMBL30699269 0.82 MAPT (0.64) MAPTALDH1A1NPSR1SMN1; SMN2CYP2C9
SCHEMBL20166477 0.82 MAPT (0.64) MAPTALDH1A1NPSR1SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391734-A1 SUBSTITUTED PHENYL SULFONYL PHENYL TRIAZOLE THIONES AND USES THEREOF NEUROPORE THERAPIES, INC. (US) 2023-12-07 US disclosed
CN-111372579-B Substituted phenylsulfonyl phenyltriazolethiones and use thereof 神经孔疗法股份有限公司 2023-08-22 CN disclosed
US-11708338-B2 Substituted phenyl sulfonyl phenyl triazole thiones and uses thereof NEUROPORE THERAPIES, INC. (US) 2023-07-25 US disclosed
US-20210300881-A1 SUBSTITUTED PHENYL SULFONYL PHENYL TRIAZOLE THIONES AND USES THEREOF NEUROPORE THERAPIES, INC. (US) 2021-09-30 US disclosed
US-20210290597-A1 METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3 NEUROPORE THERAPIES, INC. (US) 2021-09-23 US disclosed
US-11008294-B2 Substituted phenyl sulfonyl phenyl triazole thiones and uses thereof NEUROPORE THERAPIES, INC. (US) 2021-05-18 US disclosed
EP-3810133-A1 METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3 Neuropore Therapies, Inc. (US) 2021-04-28 EP disclosed
CN-112512523-A Methods of treating conditions associated with neurodegenerative disorders using inhibitors of OAT3 神经孔疗法股份有限公司 2021-03-16 CN disclosed
EP-3703675-A1 SUBSTITUTED PHENYL SULFONYL PHENYL TRIAZOLE THIONES AND USES THEREOF Neuropore Therapies, Inc. (US) 2020-09-09 EP disclosed
CN-111372579-A Substituted phenylsulfonylphenyltriazolethiones and uses thereof 神经孔疗法股份有限公司 2020-07-03 CN disclosed
US-6965036-B2 Intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-11-15 US disclosed
US-6958356-B2 Guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-01 US disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 US disclosed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 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 (8 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-20210300881-A1 SUBSTITUTED PHENYL SULFONYL PHENYL TRIAZOLE THIONES AND USES THEREOF TPMT, ABCB1, DPP8 MAPT 2005/4885ALDH1A1 1945/4885NPSR1 1325/4885
US-11008294-B2 Substituted phenyl sulfonyl phenyl triazole thiones and uses thereof TPMT, ABCB1, DPP8 MAPT 2005/4885ALDH1A1 1945/4885NPSR1 1325/4885
US-20210290597-A1 METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3 OAT, CLN6, SLC2A3 MAPT 28/4885ALDH1A1 1925/4885NPSR1 994/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 MAPT 4607/4885ALDH1A1 2218/4885NPSR1 1475/4885
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors TFPI, SERPINC1, F11 MAPT 4561/4885ALDH1A1 1666/4885NPSR1 1512/4885
US-11708338-B2 Substituted phenyl sulfonyl phenyl triazole thiones and uses thereof TPMT, ABCB1, DPP8 MAPT 2005/4885ALDH1A1 1945/4885NPSR1 1325/4885
US-20230391734-A1 SUBSTITUTED PHENYL SULFONYL PHENYL TRIAZOLE THIONES AND USES THEREOF TPMT, ABCB1, DPP8 MAPT 2005/4885ALDH1A1 1945/4885NPSR1 1325/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI MAPT 4566/4885ALDH1A1 1803/4885NPSR1 1395/4885

“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.