SCHEMBL4129639

SCHEMBL4129639

O=C=NCc1ccccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
DRD2 P14416 2/20 0.56
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
ABCB1 P08183 3/20 0.48
GAA P10253 2/20 0.48
MGLL Q99685 1/20 0.46
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46

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
Benzene SCHEMBL8678010 0.82 HTR1A (0.58) HTR1ADRD2MAPTTDP1L3MBTL1
SCHEMBL1953700 0.80 L3MBTL1 (0.54) MAPTTDP1L3MBTL1MAPK1GAA
SCHEMBL30447174 0.79 SLC6A4 (0.41)
SCHEMBL1548220 0.79 SLC6A4 (0.41)
SCHEMBL7123270 0.78 HTR1A (0.61) HTR1ADRD2MAPTTDP1L3MBTL1
SCHEMBL5544426 0.77 HTR1A (0.59) HTR1ADRD2MAPTTDP1L3MBTL1
Benzene SCHEMBL28107745 0.76 GABRA1 (0.40) ALDH1A1HPGD
SCHEMBL6202843 0.76 CACNA1G (0.40) MAPTL3MBTL1ALDH1A1THRB
SCHEMBL16437110 0.76 L3MBTL1 (0.48) MAPTL3MBTL1MAPK1LMNAKDM4E
SCHEMBL1205405 0.76 HTT (0.49) MAPTL3MBTL1GAALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946188-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-02-03 US disclosed
US-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-01-23 US disclosed
US-8461128-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 US disclosed
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US disclosed
US-4727067-A TREATMENT OF ANGINA PECTORIS, CARDIAC ARRHYTHMIA, HYPERTENSION, DEPRESSION CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
US-4636511-A ANTIARRHYTHMIC, HYPOTENSIVE CIBA-GEIGY AG (US) 1987-01-13 US disclosed
US-4497813-A ANTIARRHYTHMIA AGENTS, HYPOTENSIVE AGENTS, ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1985-02-05 US disclosed
EP-0015505-B1 3-AMINO-1,2-PROPANE DIOLS, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USE THEREOF CIBA-GEIGY AG (CH) 1984-08-08 EP disclosed
EP-0015505-A1 3-Amino-1,2-propane diols, process for their preparation, pharmaceutical compositions containing them and use thereof CIBA-GEIGY AG (CH) 1980-09-17 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 (2 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-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH HTR1A 1985/4885DRD2 2885/4885MAPT 531/4885
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH HTR1A 1985/4885DRD2 2885/4885MAPT 531/4885

“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.