SCHEMBL1618043

SCHEMBL1618043

N#CCc1ccc(-c2ccccc2N)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
CYP3A4 P08684 3/20 0.37
CYP2E1 P05181 2/20 0.37
CYP2A6 P11509 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2B6 P20813 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL31251909 0.79 MAPT (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL20772286 0.77 CYP2A6 (0.58) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL397364 0.75 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL16600088 0.75 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL3673540 0.72 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL25094681 0.69 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL20772485 0.69 MAPT (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL22300052 0.68 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL11896137 0.68 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL4796632 0.67 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2AHPGD

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
US-8394835-B2 Aromatic compounds and their use in medical applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-03-12 US disclosed
US-8394835-B2 Aromatic compounds and their use in medical applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-03-12 US disclosed
US-8394835-B2 Aromatic compounds and their use in medical applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-03-12 US disclosed
EP-1940372-B1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-11-09 EP disclosed
EP-1940372-B1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-11-09 EP disclosed
US-20110152291-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-06-23 US disclosed
US-20110152291-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-06-23 US disclosed
US-20110152291-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-06-23 US disclosed
US-7923473-B2 Moderate binding of selectins ; chronic obstructive pulmonary disease; Crohn's disease; sepsis; antiinflammatory agents; skin disorders; antiarthritic agents; cardiovascular disorders; autoimmune diseases ' REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-04-12 US disclosed
US-7923473-B2 Moderate binding of selectins ; chronic obstructive pulmonary disease; Crohn's disease; sepsis; antiinflammatory agents; skin disorders; antiarthritic agents; cardiovascular disorders; autoimmune diseases ' REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-04-12 US disclosed
US-7923473-B2 Moderate binding of selectins ; chronic obstructive pulmonary disease; Crohn's disease; sepsis; antiinflammatory agents; skin disorders; antiarthritic agents; cardiovascular disorders; autoimmune diseases ' REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-04-12 US disclosed
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 US disclosed
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 US disclosed
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 US disclosed
EP-1940372-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS Revotar Biopharmaceuticals AG (DE) 2008-07-09 EP disclosed
WO-2007039113-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 WO disclosed
WO-2007039113-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 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 (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-20110152291-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS SELP, SELL, SELE ALDH1A1 328/4885MAPT 2028/4885MEN1 4309/4885
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications SELP, SELL, SELE ALDH1A1 239/4885MAPT 1963/4885MEN1 4336/4885

“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.