SCHEMBL4581722

SCHEMBL4581722

Cc1c(C(=O)CCCOC2CCCCO2)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4C Q9H3R0 1/20 0.38
HPGD P15428 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
PDE4B Q07343 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TGFBR1 P36897 2/20 0.33
TGFBR2 P37173 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP2J2 P51589 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL4581502 0.83 MEN1 (0.36) MEN1KMT2AKDM4CPDE4BADORA3
SCHEMBL14177811 0.82 MEN1 (0.47) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL1737429 0.80 MEN1 (0.47) MEN1KMT2AKDM4CHPGDNPC1
SCHEMBL14197521 0.75 KDM4C (0.36) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL10930610 0.71 KDM4C (0.45) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL7270834 0.71 MEN1 (0.39) MEN1KMT2AKDM4CRAB9AADORA3
SCHEMBL13670733 0.69 MEN1 (0.59) MEN1KMT2AHPGDRAB9AL3MBTL1
SCHEMBL15295815 0.69 MEN1 (0.45) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL4450050 0.69 MEN1 (0.61) MEN1KMT2ARAB9AL3MBTL1MGLL
SCHEMBL18896587 0.68 MEN1 (0.42) MEN1KMT2AKDM4CNPC1RAB9A

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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 MEN1 2752/4885KMT2A 3463/4885KDM4C 707/4885

“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.