SCHEMBL162020

SCHEMBL162020

CC(C)(C)NC(=O)n1cccc1[O]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
P2RX4 Q99571 1/20 0.44
NPC1 O15118 5/20 0.37
GAA P10253 2/20 0.37
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP2C9 P11712 1/20 0.34
EPHX1 P07099 1/20 0.34
RAB9A P51151 4/20 0.33
MAPT P10636 2/20 0.33
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL165613 0.79 BCHE (0.42) BCHEGAALMNASMN1; SMN2
SCHEMBL162982 0.74 BCHE (0.46) BCHEGAASMN1; SMN2MAPTKDM4E
SCHEMBL162353 0.74 BCHE (0.46) BCHEP2RX4GAASMN1; SMN2CYP2C9
SCHEMBL161740 0.71 BCHE (0.49) BCHEMEN1KMT2A
SCHEMBL162288 0.71 LPO (0.44) BCHEP2RX4KDM4EHSD17B10MEN1
SCHEMBL163016 0.70 HSP90AA1 (0.47) BCHEKDM4EMEN1KMT2AMAPK1
SCHEMBL163515 0.70 ASAH1 (0.48) NPC1GAALMNASMN1; SMN2RAB9A
SCHEMBL15204741 0.69 MAPT (0.51) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL163799 0.69 BCHE (0.51) BCHESMN1; SMN2MEN1KMT2A
SCHEMBL162860 0.69 BCHE (0.38) BCHEP2RX4NPC1GAALMNA

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 BCHE 37/4885P2RX4 2210/4885NPC1 1201/4885

“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.