SCHEMBL4430278

SCHEMBL4430278

C[CH]NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
SIGMAR1 Q99720 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM1A O60341 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
IDO1 P14902 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
MAOA P21397 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
SCHEMBL13373174 0.83 TAAR1 (0.54) ATMTAAR1SIGMAR1SMN1; SMN2NPC1
SCHEMBL7530984 0.78 TMEM97 (0.61) TAAR1SIGMAR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7285776 0.78 TAAR1 (0.54) ATMTAAR1SIGMAR1SMN1; SMN2NPC1
SCHEMBL56059 0.77 ADH1B (0.61) ATMTAAR1SIGMAR1SMN1; SMN2NPC1
SCHEMBL4553369 0.77 NPC1 (0.52) ATMTAAR1SIGMAR1SMN1; SMN2NPC1
SCHEMBL7736614 0.77 ALDH1A1 (0.52) ATMTAAR1SIGMAR1SMN1; SMN2NPC1
SCHEMBL7963483 0.77 NPC1 (0.52) ATMTAAR1SIGMAR1SMN1; SMN2NPC1
SCHEMBL28850288 0.77 ALDH1A1 (0.54) ATMTAAR1SIGMAR1SMN1; SMN2NPC1
SCHEMBL2117911 0.76 ADH1B (0.60) SIGMAR1SMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL9344083 0.76 L3MBTL1 (0.52) ATMTAAR1SIGMAR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107973788-B BBI608 derivative and preparation and application thereof 沈阳药科大学 2021-07-09 CN disclosed
EP-2099442-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2009-09-16 EP disclosed
WO-2008082856-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2008-07-10 WO disclosed
US-20050261164-A1 Remedy for urinary frequency and urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-24 US disclosed
EP-1532978-A1 REMEDY FOR URINARY FREQUENCY AND URINARY INCONTINENCE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP disclosed
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0937459-A2 Pharmaceutical compositions for the treatment of ischemic brain damage SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-08-25 EP disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
US-5508403-A ENHANCES EFFECTS OF ANTITUMOR AGENTS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1996-04-16 US disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed
EP-0353692-B1 Drug effect-enhancing agent for antitumor drug NISSAN CHEMICAL IND LTD (JP) 1995-10-04 EP disclosed
EP-0655455-A1 Novel phosporus containing pyridine derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-05-31 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed
US-5304550-A Synergistic NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-04-19 US disclosed
WO-1994007815-A2 SMALL PEPTIDE ANAPHYLATOXIN RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1994-04-14 WO disclosed
WO-1994007518-A1 ANAPHYLATOXIN RECEPTOR LIGANDS CONTAINING LIPOPHILIC RESIDUES ABBOTT LABORATORIES (US) 1994-04-14 WO disclosed
US-5130303-A Pyridine derivative administering NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-07-14 US disclosed
EP-0353692-A2 Drug effect-enhancing agent for antitumor drug NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-02-07 EP 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 (1 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-20050261164-A1 Remedy for urinary frequency and urinary incontinence SLC14A1, SLC26A4, SLC6A12 ATM 4418/4885TAAR1 1307/4885SIGMAR1 3409/4885

“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.