SCHEMBL4580271

SCHEMBL4580271

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TBXAS1 P24557 1/20 0.32
CYP2J2 P51589 3/20 0.32
TSHR P16473 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
FAAH O00519 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
PLA2G4A P47712 1/20 0.30
CDC25B P30305 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL923644 0.79 LMNA (0.37) KDM4EMAPTRAB9ALMNAKMT2A
SCHEMBL6667217 0.79 CYP11B1 (0.37) KDM4EMAPTRAB9APOLBTSHR
SCHEMBL6662261 0.77 KDM4E (0.34) KDM4ERAB9ATBXAS1TSHRCNR1
SCHEMBL7467650 0.76 TP53 (0.48) KDM4EMAPTGAARAB9ALMNA
SCHEMBL4581722 0.76 MEN1 (0.45) RAB9AMEN1KMT2ACYP2J2L3MBTL1
SCHEMBL6743058 0.75 CYP11B1 (0.33) GAAMEN1KMT2ATDP1CYP1A2
SCHEMBL14177821 0.73 APOBEC3A (0.38) LMNATBXAS1TSHRCYP1A2SMN1; SMN2
SCHEMBL7319418 0.73 LMNA (0.35) KDM4EMAPTLMNAKMT2APKM
SCHEMBL7310245 0.72 CYP11B1 (0.34) KDM4EMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1736018 0.71 SIRT2 (0.36) MAPTLMNATBXAS1CYP2J2L3MBTL1

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-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
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 KDM4E 1597/4885MAPT 3864/4885GAA 4328/4885

“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.