SCHEMBL161857

SCHEMBL161857

CCNC(=O)c1cc([O])on1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.49
CYP2C19 P33261 2/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 9/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 8/20 0.44
TP53 P04637 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41
HTT P42858 1/20 0.40
HIF1A Q16665 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
SCHEMBL163857 0.86 TP53 (0.58) RAB9AHPGDGAASMN1; SMN2POLB
SCHEMBL164034 0.83 NPC1 (0.59) RAB9AHPGDGAASMN1; SMN2POLB
SCHEMBL13631419 0.81 CYP2C19 (0.69) RAB9ACYP2C19GAASMN1; SMN2NPC1
SCHEMBL159824 0.81 RAB9A (0.64) RAB9AHPGDGAASMN1; SMN2POLB
SCHEMBL4481455 0.80 RAB9A (0.48) RAB9ACYP2C19HPGDGAASMN1; SMN2
SCHEMBL162398 0.79 MAPT (0.43) RAB9ACYP2C19GAASMN1; SMN2NPC1
SCHEMBL17663699 0.77 ALDH1A1 (0.54) RAB9ACYP2C19HPGDGAASMN1; SMN2
SCHEMBL24028581 0.76 HDAC4 (0.47) RAB9ACYP2C19HPGDGAASMN1; SMN2
SCHEMBL164699 0.76 RAB9A (0.58) RAB9AHPGDSMN1; SMN2POLBNPC1
SCHEMBL24352894 0.75 RAB9A (0.43) RAB9ACYP2C19HPGDGAASMN1; SMN2

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 RAB9A 3460/4885CYP2C19 4178/4885HPGD 2718/4885

“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.