SCHEMBL161609

SCHEMBL161609

NC(=O)c1nccnc1[O]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
MC4R P32245 1/20 0.41
ADRA1A P35348 1/20 0.41
MC3R P41968 1/20 0.41
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
ADORA2A P29274 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PRKCI P41743 2/20 0.32
ATR Q13535 1/20 0.32
MAP2K3 P46734 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDPK1 O15530 1/20 0.32
PARP1 P09874 1/20 0.31
SIRT6 Q8N6T7 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL2492969 0.84 TSHR (0.48) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL163385 0.77 KDM4E (0.46) TSHRALDH1A1LMNAATRKMT2A
SCHEMBL29379618 0.75 TSHR (0.41) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL1338425 0.75 TSHR (0.41) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL29693731 0.75 TSHR (0.46) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL13544700 0.75 ADORA3 (0.41) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL931331 0.75 TSHR (0.46) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL1097431 0.75 PRKCI (0.48) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL30065824 0.75 PRKCI (0.48) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL24731313 0.73 TSHR (0.40) TSHRADORA3MC4RADRA1AMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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 (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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 TSHR 4862/4885ADORA3 705/4885MC4R 4604/4885

“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.