SCHEMBL163704

SCHEMBL163704

CCNC(=O)c1cc([O])c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 2/20 0.40
DAO P14920 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C3 P42330 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
VIP P01282 1/20 0.35

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
SCHEMBL160110 0.86 PKM (0.52) BRD4ALOX15ALDH1A1CREBBPKDM4E
SCHEMBL162430 0.83 DRD2 (0.50) ALOX15ALDH1A1KDM4EPKMMEN1
SCHEMBL13753894 0.81 BRD4 (0.44) BRD4ALOX15ALDH1A1CREBBPKDM4E
SCHEMBL163955 0.81 HSD17B10 (0.47) ALDH1A1KDM4EGAAKMT2A
SCHEMBL164296 0.79 CREBBP (0.63) BRD4ALOX15ALDH1A1CREBBPKDM4E
SCHEMBL21180765 0.77 ALDH1A1 (0.42) BRD4ALOX15ALDH1A1CREBBPKDM4E
SCHEMBL163140 0.76 MEN1 (0.44) BRD4ALDH1A1CREBBPKDM4EGAA
SCHEMBL20094767 0.76 DAO (0.49) BRD4ALOX15ALDH1A1CREBBPKDM4E
SCHEMBL163634 0.74 CREBBP (0.41) BRD4ALDH1A1CREBBPKDM4EGAA
SCHEMBL161465 0.74 ADORA3 (0.43) BRD4ALOX15ALDH1A1CREBBPKDM4E

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 BRD4 3122/4885ALOX15 417/4885ALDH1A1 1667/4885

“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.