SCHEMBL165080

SCHEMBL165080

CC(C)NC(=O)c1cc([O])c2cc3ccccc3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
RIPK1 Q13546 1/20 0.42
HPGDS O60760 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MLYCD O95822 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PDK2 Q15119 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
SCHEMBL160992 0.88 NCEH1 (0.46) BRD4RIPK1HPGDSMAOAMAOB
SCHEMBL15204760 0.86 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2A
SCHEMBL163477 0.83 PLK1 (0.44) BRD4RIPK1HPGDSALDH1A1TSHR
SCHEMBL162512 0.82 KMT2A (0.54) BRD4MAOBNPSR1ALDH1A1LMNA
SCHEMBL162792 0.80 TSHR (0.47) NPSR1ALDH1A1ALOX15LMNAMEN1
SCHEMBL162219 0.80 NCEH1 (0.48) BRD4RIPK1MAOAMAOBNPSR1
SCHEMBL163498 0.79 HDAC3 (0.43) BRD4RIPK1HPGDSALDH1A1MEN1
SCHEMBL162474 0.79 MEN1 (0.46) RIPK1HPGDSMAOAMAOBLMNA
SCHEMBL163819 0.79 CA12 (0.50) NPSR1ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL7477122 0.78 NPC1 (0.56) NPSR1ALDH1A1MEN1KMT2AADRB2

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 3122/4885RIPK1 2810/4885HPGDS 3418/4885

“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.