SCHEMBL162637

SCHEMBL162637

CCNC(=O)c1cc([O])sn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.38
CNR1 P21554 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HPGD P15428 4/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 3/20 0.34
BRD4 O60885 1/20 0.34
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
BUB1 O43683 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL162421 0.86 TP53 (0.47) SMYD3SMN1; SMN2POLBHPGDRAB9A
SCHEMBL163268 0.83 RAB9A (0.48) SMYD3SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL162313 0.81 RAB9A (0.48) SMN1; SMN2POLBHPGDRAB9AGAA
SCHEMBL163883 0.72 MAPK1 (0.43) POLBGAALMNAALDH1A1TP53
SCHEMBL19691193 0.69 NPC1 (0.51) CNR1SMN1; SMN2HDAC4HDAC1HDAC6
SCHEMBL161857 0.69 RAB9A (0.49) SMN1; SMN2POLBHPGDRAB9AGAA
SCHEMBL165054 0.69
SCHEMBL162816 0.68 HDAC3 (0.43) CNR1POLBHDAC4HDAC1HDAC6
SCHEMBL163960 0.68 HIF1A (0.42) CNR1SMN1; SMN2POLBHDAC4HDAC1
SCHEMBL100826 0.67 CNR1 (0.42) CNR1SMN1; SMN2HPGDRAB9AGAA

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 SMYD3 1882/4885CNR1 3934/4885SMN1; SMN2 1/4885

“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.