SCHEMBL164974

SCHEMBL164974

NC(=O)c1cc([O])cnn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
TSHR P16473 1/20 0.38
MC4R P32245 1/20 0.38
ADRA1A P35348 1/20 0.38
MC3R P41968 1/20 0.38
SIRT6 Q8N6T7 2/20 0.36
LCK P06239 1/20 0.36
NNMT P40261 1/20 0.34
SCD O00767 1/20 0.33
KMT2A Q03164 1/20 0.32
PIM1 P11309 1/20 0.32

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
SCHEMBL163851 0.82 ALOX15 (0.39) LMNATSHR
SCHEMBL31226700 0.78 LMNA (0.39) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL3415008 0.77 PARP1 (0.38) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL164703 0.74 BAZ2B (0.41) LMNATSHRPIM1
SCHEMBL30364115 0.72 PARP1 (0.42) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL29921698 0.72 KMT2A (0.51) LMNAKMT2APIM1
SCHEMBL29705430 0.72 NNMT (0.46) SIRT6NNMTKMT2A
SCHEMBL25692509 0.72 ICAM1 (0.35) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL27215247 0.72 NNMT (0.46) SIRT6NNMTKMT2A
SCHEMBL28169264 0.72 PARP1 (0.42) LMNAADORA3TSHRMC4RADRA1A

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 LMNA 462/4885ADORA3 705/4885TSHR 4862/4885

“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.