SCHEMBL162365

SCHEMBL162365

CNC(=O)c1c[nH]c([O])n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
NR1I2 O75469 1/20 0.37
AHR P35869 1/20 0.37
BRD4 O60885 4/20 0.37
HPGD P15428 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 3/20 0.36
CNR1 P21554 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 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
SCHEMBL15555569 0.80 BAZ2B (0.42) CREBBPBAZ2BNR1I2AHRBRD4
SCHEMBL20744130 0.77 CREBBP (0.37) CREBBPBAZ2BNR1I2AHRBRD4
SCHEMBL6498945 0.77 PLK1 (0.39) CREBBPBAZ2BNR1I2AHRBRD4
SCHEMBL162480 0.76 MAPK1 (0.43) CREBBPBAZ2BRAB9ANPC1GAA
SCHEMBL163376 0.75 JAK2 (0.44) RAB9ANPC1KDM4EALDH1A1TP53
SCHEMBL163549 0.75 RAB9A (0.44) HPGDRAB9ANPC1POLBGAA
SCHEMBL162854 0.74
SCHEMBL25413935 0.72 PIN1 (0.52) BAZ2BNR1I2AHRBRD4HPGD
SCHEMBL1249452 0.69
SCHEMBL159836 0.68 GABRA1 (0.39) ALDH1A1LMNA

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 CREBBP 3912/4885BAZ2B 2722/4885NR1I2 4451/4885

“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.