SCHEMBL764342

SCHEMBL764342

NC(=O)N(C(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 5/20 0.46
TSHR P16473 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
PARP1 P09874 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX5 P09917 1/20 0.42
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL1409829 0.90 NPSR1 (0.46) NPSR1ALDH1A1TSHRPOLBTDP1
SCHEMBL11066771 0.86 ALDH1A1 (0.56) NPSR1ALDH1A1TSHRPOLBTDP1
SCHEMBL3073692 0.86 ALDH1A1 (0.45) NPSR1ALDH1A1TSHRPOLBTDP1
SCHEMBL2943261 0.86 CRHBP (0.46) NPSR1ALDH1A1TSHRPOLBTDP1
SCHEMBL27692421 0.84 NPSR1 (0.64) NPSR1ALDH1A1TSHRPOLBTDP1
Benzoylphenylurea SCHEMBL83109 0.84 L3MBTL1 (0.48) NPSR1ALDH1A1TSHRPOLBTDP1
Hydrochloric Acid SCHEMBL28482173 0.84 ALDH1A1 (0.43) NPSR1ALDH1A1TSHRPOLBTDP1
Benzoylphenylurea SCHEMBL31707309 0.83 TDP1 (0.46) NPSR1ALDH1A1TSHRPOLBTDP1
SCHEMBL13760588 0.83 PLAU (0.41) NPSR1ALDH1A1TSHRPOLBTDP1
SCHEMBL27434141 0.83 ALDH1A1 (0.42) NPSR1ALDH1A1TSHRPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149541-B2 Tyrosine ligation process NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9149541-B2 Tyrosine ligation process NOVARTIS AG (CH) 2015-10-06 US disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-20140141034-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2014-05-22 US disclosed
US-20140141034-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2014-05-22 US disclosed
WO-2013009564-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2013-01-17 WO disclosed
EP-2325169-A9 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES University Of Virginia Patent Foundation (US) 2012-03-21 EP disclosed
WO-2011079315-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-30 WO disclosed
EP-2325169-A2 Lisofylline analogues and their pharmeacuetical uses University Of Virginia Patent Foundation (US) 2011-05-25 EP disclosed
WO-2007027719-A2 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-03-08 WO disclosed
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 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-20140141034-A1 TYROSINE LIGATION PROCESS ACP1, LTK, TTL NPSR1 978/4885ALDH1A1 2066/4885TSHR 482/4885
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH NPSR1 497/4885ALDH1A1 4268/4885TSHR 416/4885

“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.