SCHEMBL162424

SCHEMBL162424

CCNC(=O)c1cc([O])ccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
RAF1 P04049 4/20 0.41
BRAF P15056 1/20 0.40
BRD4 O60885 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
POLB P06746 1/20 0.39
MMP13 P45452 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL162061 0.87 NPC1 (0.48) KDM4ELMNAL3MBTL1BRD4NPC1
SCHEMBL163971 0.84 KDM4E (0.54) KDM4ELMNAHTTNPC1RAB9A
SCHEMBL162598 0.83 RAB9A (0.50) KDM4ELMNAHTTNPC1RAB9A
SCHEMBL10274536 0.83 KMT2A (0.50) PARP1KDM4ELMNAHTTL3MBTL1
SCHEMBL4353042 0.83 ITGB3 (0.47) PARP1KDM4ELMNAHTTL3MBTL1
SCHEMBL163711 0.82 KDR (0.48) PARP1KDM4ELMNACNR1RAF1
SCHEMBL620738 0.81 L3MBTL1 (0.58) PARP1KDM4ELMNAHTTL3MBTL1
SCHEMBL13382160 0.81 PARP1 (0.44) PARP1KDM4ELMNAHTTL3MBTL1
SCHEMBL10283833 0.81 SMYD3 (0.57) PARP1KDM4ELMNAHTTL3MBTL1
SCHEMBL19462304 0.81 PARP1 (0.44) PARP1KDM4ELMNAHTTL3MBTL1

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 PARP1 1397/4885KDM4E 2214/4885LMNA 462/4885

“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.