SCHEMBL160110

SCHEMBL160110

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
BRD4 O60885 1/20 0.41
GPR84 Q9NQS5 2/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL162430 0.90 DRD2 (0.50) PKMALOX15ALDH1A1POLBL3MBTL1
SCHEMBL163704 0.86 BRD4 (0.44) PKMALOX15ALDH1A1POLBL3MBTL1
SCHEMBL163955 0.78 HSD17B10 (0.47) ALDH1A1HTTKMT2AKDM4EGAA
SCHEMBL20094517 0.78 MAPT (0.49) PKMALOX15ALDH1A1POLBL3MBTL1
SCHEMBL164296 0.76 CREBBP (0.63) PKMALOX15ALDH1A1BRD4HTT
SCHEMBL163140 0.73 MEN1 (0.44) PKMALDH1A1L3MBTL1BRD4HTT
SCHEMBL163634 0.71 CREBBP (0.41) ALDH1A1POLBBRD4KDM4EGAA
SCHEMBL161465 0.71 ADORA3 (0.43) ALOX15ALDH1A1BRD4KDM4EGAA
SCHEMBL4658952 0.71 KDM4E (0.59) POLBMEN1KMT2AKDM4EGAA
SCHEMBL16950289 0.69 TP53 (0.49) PKMALOX15POLBMEN1KMT2A

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 PKM 742/4885ALOX15 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.