SCHEMBL4412374

SCHEMBL4412374

NNC(=O)CCOc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.67
CYP3A4 P08684 3/20 0.67
CYP2C19 P33261 3/20 0.67
CYP2C9 P11712 2/20 0.67
TSHR P16473 1/20 0.63
RECQL P46063 1/20 0.63
MMP3 P08254 1/20 0.58
RAB9A P51151 5/20 0.58
KMT2A Q03164 5/20 0.58
NPC1 O15118 4/20 0.58
MEN1 O00255 4/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP2D6 P10635 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
Hydrochloric Acid SCHEMBL7190843 0.98 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL3267877 0.91 HDAC1 (0.63) CYP1A2CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL4411547 0.90 MMP3 (0.54) CYP1A2CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL6189108 0.90 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19CYP2C9TSHR
Hydrochloric Acid SCHEMBL5639911 0.89 HDAC1 (0.61) CYP1A2CYP3A4CYP2C19CYP2C9TSHR
Isophthalic Acid SCHEMBL17394551 0.88 SMN1; SMN2 (0.60) CYP1A2CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL4411183 0.87 KDM4E (0.58) CYP1A2CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL4412344 0.85 MMP3 (0.63) CYP1A2CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL4412300 0.85 MMP3 (0.50) CYP1A2CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL4773749 0.83 MMP3 (0.81) CYP1A2CYP3A4CYP2C19CYP2C9TSHR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54077655-A None JP disclosed
CN-108884282-B Polyethylene and molded article thereof 日本聚乙烯株式会社 2021-06-08 CN disclosed
CN-105121035-B The manufacture method of the products formed of organosilane crosslinked polyethylene resin, the manufacture method and its manufacture device of bar-shaped products formed 三菱电机株式会社 2017-11-14 CN disclosed
CN-105121035-A Production method for molded article of silane crosslinked polyethylene resin, production method for molded rod, and production device for same MITSUBISHI ELECTRIC CORP 2015-12-02 CN disclosed
US-7638565-B2 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2009-12-29 US disclosed
US-20070054998-A1 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2007-03-08 US disclosed
EP-1686156-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-08-02 EP disclosed
US-6586437-B2 Administering (S)-hydroxynefazodone or its salt for therapy of psychosis SEPRACOR INC. 2003-07-01 US disclosed
US-20030083338-A1 Compositions and methods for management of serotonin-mediated disorders SEPRACOR, INC. 2003-05-01 US disclosed
US-6469008-B2 THERAPY OF PSYCHOSIS IN A HUMAN COMPRISING ADMINISTERING (R)-HYDROXYNEFAZODONE OR A PHARMACEUTICALLY ACCEPTABLE SALT SEPRACOR INC. 2002-10-22 US disclosed
WO-2002069951-A2 COMPOSITION CONTAINING A NEFAZONOID SUCH AS NEFAZODONE AND A SEROTONIN-INHIBITOR SUCH AS FLUOXETINE SEPRACOR INC. (US) 2002-09-12 WO disclosed
US-20020077326-A1 Administering (S)-hydroxynefazodone or its salt for therapy of psychosis SEPRACOR INC. 2002-06-20 US disclosed
US-20020058675-A1 (R)-hydroxynefazodone antipsychotic therapy SEPRACOR INC. (US) 2002-05-16 US disclosed
US-5900485-A Methods for the manufacture of neofazodone APOTEX, INC. (CA) 1999-05-04 US disclosed
US-4575555-A ANTIDEPRESSANTS MEAD JOHNSON & COMPANY (US) 1986-03-11 US disclosed
US-4487773-A ANTISEROTONINE AGENTS MEAD JOHNSON & COMPANY (US) 1984-12-11 US disclosed
JP-S5477655-A CROSSLINKING OF POLYOLEFIN AND PRODUCTION OF CROSSLINKED POLYOLEFIN INSULATED WIRES HITACHI CABLE LTD 1979-06-21 JP 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-20020077326-A1 Administering (S)-hydroxynefazodone or its salt for therapy of psychosis SLC6A3, SLC6A2, SLC6A4 CYP1A2 1827/4885CYP3A4 2535/4885CYP2C19 1703/4885
US-20030083338-A1 Compositions and methods for management of serotonin-mediated disorders HTR5A, TPH1, HTR4 CYP1A2 305/4885CYP3A4 235/4885CYP2C19 159/4885
US-20020058675-A1 (R)-hydroxynefazodone antipsychotic therapy GABRE, GRIN2A, HTR3E CYP1A2 1090/4885CYP3A4 1745/4885CYP2C19 1015/4885

“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.