SCHEMBL10189846

SCHEMBL10189846

S=CC=Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
MAOA P21397 1/20 0.39
MIF P14174 1/20 0.39
S100B P04271 1/20 0.39
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34

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
SCHEMBL13913433 0.86 ALDH1A1 (0.39) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL13754812 0.83 S100B (0.52) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL242948 0.83 S100B (0.52) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL242949 0.83 S100B (0.52) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL13913452 0.81 ALDH1A1 (0.52) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL5676571 0.80 S100B (0.50) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL4865610 0.80 S100B (0.50) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL13913448 0.78 ALDH1A1 (0.50) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL13913439 0.77 MAOB (0.43) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL14459250 0.75 S100B (0.41) KMT2AALDH1A1KDM4EGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382218-B2 N-heteroaryl substituted aniline derivatives as HCV-antivirals HOFFMANN-LA ROCHE INC. (US) 2016-07-05 US disclosed
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HOFFMANN-LA ROCHE INC. 2016-01-07 US disclosed
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 US disclosed
US-20150139901-A1 Radioactive Rhodium Complexes, Preparation Methods and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE (INSERM) (FR) 2015-05-21 US disclosed
US-20130267544-A1 Use of LP-PLA2 Inhibitors in the Treatment and Prevention of Eye Diseases GLAXO GROUP LIMITED (GB) 2013-10-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 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 (5 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-20150139901-A1 Radioactive Rhodium Complexes, Preparation Methods and Uses Thereof RAB35, MRPL21, MRPS35 KMT2A 3711/4885ALDH1A1 4118/4885MAPT 1762/4885
US-20130267544-A1 Use of LP-PLA2 Inhibitors in the Treatment and Prevention of Eye Diseases PLA2G4A, PLA2G1B, PLA2G4B KMT2A 3516/4885ALDH1A1 2261/4885MAPT 3977/4885
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, LPAR1, PLA2G1B KMT2A 2951/4885ALDH1A1 1781/4885MAPT 199/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 KMT2A 1134/4885ALDH1A1 2031/4885MAPT 4518/4885
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HAVCR2, UGT1A1, UGT1A3 KMT2A 3664/4885ALDH1A1 105/4885MAPT 4404/4885

“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.