SCHEMBL1999659

SCHEMBL1999659

N#Cc1ccc(OCCCCCBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.57
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
MMP3 P08254 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH2 P25021 4/20 0.47
HRH1 P35367 4/20 0.47
MMP2 P08253 2/20 0.47
MAOB P27338 1/20 0.46
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
TBXAS1 P24557 1/20 0.44

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
SCHEMBL5522642 1.00 HRH3 (0.57) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL14448890 1.00 HRH3 (0.57) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL3107072 1.00 HRH3 (0.57) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL22401643 1.00 HRH3 (0.57) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL11031564 1.00 HRH3 (0.57) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL1713933 0.98 ALDH1A1 (0.54) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL5097451 0.95 HDAC1 (0.58) HRH3ALDH1A1HDAC1HDAC2MMP3
SCHEMBL9227809 0.95 HDAC1 (0.58) HRH3ALDH1A1HDAC1HDAC2MMP3
SCHEMBL2201281 0.95 HDAC1 (0.58) HRH3ALDH1A1HDAC1HDAC2MMP3
SCHEMBL6709272 0.95 HDAC1 (0.58) HRH3ALDH1A1HDAC1HDAC2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388542-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. (US) 2025-12-25 US disclosed
CN-113766914-B Pentaneamidine analogues and uses thereof 美商奥润沙公司 2024-02-13 CN disclosed
US-20220144776-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. 2022-05-12 US disclosed
CN-113766914-A Pentamidine analogs and uses thereof 美商奥润沙公司 2021-12-07 CN disclosed
EP-3897600-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR Auransa Inc. (US) 2021-10-27 EP disclosed
WO-2020132636-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. (US) 2020-06-25 WO disclosed
WO-2020132636-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. (US) 2020-06-25 WO disclosed
US-7960417-B2 Such as 1-(2,2-dimethylpropyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)phenoxy]butoxy}-1H-indole; neurological and psychiatric disorders MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors MERCK SHARP & DOHME CORP. 2008-07-24 US disclosed
EP-1855670-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
US-6153613-A 2,3-diketopiperazine derivatives or their salts TOYOMA CHEMICAL CO., LTD. (JP) 2000-11-28 US disclosed
US-5877174-A ANTICOAGULANTS TOYAMA CHEMICAL CO., LTD. (JP) 1999-03-02 US disclosed
EP-0669909-B1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT CIBA GEIGY AG (CH) 1998-01-07 EP disclosed
EP-0805149-A1 NOVEL 2,3-DIKETOPIPERAZINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-11-05 EP disclosed
US-5639768-A LEUKOTOTRIENE RECEPTOR ANTAGONIST; ANTINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-17 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0669909-A1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT Novartis AG (CH) 1995-09-06 EP disclosed
WO-1994011341-A1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT CIBA-GEIGY AG (CH) 1994-05-26 WO disclosed
EP-0111345-A2 Isoxazoles, useful as antiviral agents, and preparation thereof STERLING DRUG INC. (US) 1984-06-20 EP disclosed
US-4451476-A Isoxazoles as antiviral agents STERLING DRUG INC. (US) 1984-05-29 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 (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-20250388542-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR MALT1, SLC38A7, SLC7A1 HRH3 474/4885ALDH1A1 1716/4885MAPT 4809/4885
US-20220144776-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR DPYD, TYMP, GOT1 HRH3 2911/4885ALDH1A1 719/4885MAPT 3836/4885
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors GRM2, GRM3, GRIK2 HRH3 415/4885ALDH1A1 2230/4885MAPT 2034/4885

“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.