SCHEMBL165963

SCHEMBL165963

CC(C)NC(=O)c1nc(O)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
JAK3 P52333 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
XDH P47989 2/20 0.36
ALOX5 P09917 1/20 0.36
SYK P43405 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALPL P05186 1/20 0.35
CYP2C9 P11712 1/20 0.34
MLYCD O95822 1/20 0.34

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
SCHEMBL164029 0.83 MEN1 (0.44) JAK2JAK1JAK3SMN1; SMN2CYP1A2
SCHEMBL163004 0.78 KMT2A (0.42) SMN1; SMN2CYP1A2ALPLCYP2C9MLYCD
SCHEMBL165035 0.75 SYK (0.37) JAK2SYKALPL
SCHEMBL159512 0.75 PIN1 (0.36) ALOX15CYP17A1CYP3A4KDM4EMEN1
SCHEMBL161198 0.70 TSHR (0.46) SMN1; SMN2ALOX15TSHRKDM4E
SCHEMBL162924 0.70
SCHEMBL1849775 0.69 SMN1; SMN2 (0.41) JAK2JAK1JAK3SMN1; SMN2ADORA3
SCHEMBL12724861 0.69 HSPA5 (0.53) JAK2JAK1JAK3SMN1; SMN2KDM4E
SCHEMBL165207 0.68 NPC1 (0.40) JAK2JAK1JAK3SMN1; SMN2ADORA3
SCHEMBL161197 0.67 JAK2 (0.43) JAK2JAK1JAK3SMN1; SMN2CYP1A2

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 JAK2 2042/4885JAK1 849/4885JAK3 630/4885

“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.