SCHEMBL161741

SCHEMBL161741

CCCNC(=O)c1cc[nH]c1[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
POLB P06746 3/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 4/20 0.44
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40

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
SCHEMBL163800 0.90 TSHR (0.60) L3MBTL1ALDH1A1TSHRHTTHPGD
SCHEMBL162983 0.86 L3MBTL1 (0.43) L3MBTL1POLBTHRBGAAKMT2A
SCHEMBL163516 0.78 HSD17B10 (0.48) POLBALDH1A1GAAKMT2AHSD17B10
SCHEMBL30211623 0.74 POLB (0.61) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL22505247 0.74 POLB (0.61) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL15204743 0.73 MEN1 (0.55) L3MBTL1RECQLALDH1A1KMT2ATSHR
SCHEMBL16982383 0.73 NAPRT (0.51) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL13753750 0.73 HDAC1 (0.63) L3MBTL1POLBALDH1A1GAAKMT2A
SCHEMBL9935825 0.72 GAA (0.57) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL4658952 0.71 KDM4E (0.59) POLBGAAKMT2AKDM4E

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 L3MBTL1 1654/4885POLB 690/4885THRB 4816/4885

“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.