SCHEMBL667358

SCHEMBL667358

CC(=O)NCCc1[c]cccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.47
MTNR1B P49286 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
F13A1 P00488 1/20 0.46
LMNA P02545 2/20 0.44
BLM P54132 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PTGS1 P23219 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL754247 0.82 NPSR1 (0.46) MTNR1AMTNR1BL3MBTL1SMN1; SMN2KDM4E
SCHEMBL1861965 0.79 NQO2 (0.46) LMNAMEN1TSHRKMT2A
SCHEMBL22931109 0.78 KDM4E (0.45) MTNR1AMTNR1BSMN1; SMN2KDM4EF13A1
SCHEMBL4659394 0.76 TAAR1 (0.48) L3MBTL1KDM4ELMNAMEN1KMT2A
SCHEMBL1661479 0.75 LTA4H (0.41) SMN1; SMN2
SCHEMBL29073047 0.74 LMNA (0.58) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5032139 0.73 ALDH1A1 (0.40) L3MBTL1SMN1; SMN2KDM4EBLMMEN1
SCHEMBL7848802 0.73 KDM4E (0.51) MTNR1AMTNR1BSMN1; SMN2KDM4EF13A1
SCHEMBL5776915 0.72 RAD52 (0.43) SMN1; SMN2LMNAMEN1CYP1A2TSHR
SCHEMBL998675 0.72 ALDH1A1 (0.46) SMN1; SMN2KDM4ELMNATSHRKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993607-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-03-31 US disclosed
US-20120046234-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2012-02-23 US disclosed
EP-2185568-A2 THERAPEUTIC COMPOUNDS BOARD OF TRUSTEES, RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-05-19 EP disclosed
WO-2009018551-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-02-05 WO disclosed
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 US 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-20120046234-A1 THERAPEUTIC COMPOUNDS MKI67, MCL1, TP53 MTNR1A 2910/4885MTNR1B 2612/4885L3MBTL1 2804/4885

“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.