SCHEMBL163095

SCHEMBL163095

NC(=O)c1ccc2c(ccc3ccccc32)c1[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.50
WDR5 P61964 1/20 0.46
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
LDHA P00338 1/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
CYP2A6 P11509 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PAX8 Q06710 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
NR4A1 P22736 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
SCHEMBL165467 0.91 WDR5 (0.50) WDR5KMT2AATMLDHAKDM4E
SCHEMBL160289 0.84 WDR5 (0.61) HPRT1WDR5KMT2ALDHAKDM4E
SCHEMBL3722525 0.82 HPRT1 (0.50) HPRT1WDR5KMT2AATMLDHA
SCHEMBL27902907 0.81 KDM4E (0.59) HPRT1KMT2AATMKDM4EPOLB
SCHEMBL659571 0.81 KDM4E (0.59) HPRT1KMT2AATMKDM4EPOLB
SCHEMBL30415690 0.81 KDM4E (0.59) HPRT1KMT2AATMKDM4EPOLB
Hydrochloric Acid SCHEMBL30561222 0.80 KDM4E (0.58) HPRT1KMT2AATMLDHAKDM4E
SCHEMBL162128 0.79 KDM4E (0.66) WDR5KMT2AATMKDM4ESMN1; SMN2
SCHEMBL164215 0.78 MAPT (0.49) HPRT1WDR5KMT2AKDM4EALDH1A1
SCHEMBL163046 0.78 PLK1 (0.60) HPRT1WDR5LDHAKDM4EALDH1A1

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 HPRT1 3820/4885WDR5 3074/4885KMT2A 2544/4885

“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.