SCHEMBL594127

SCHEMBL594127

O=C(O)c1cc(F)cc(N2CCCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
GAA P10253 3/20 0.56
HSD17B10 Q99714 3/20 0.56
TTR P02766 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
TP53 P04637 4/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HCAR1 Q9BXC0 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL592613 1.00 KDM4E (0.56) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL594366 0.98 ALDH1A1 (0.57) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL732579 0.85 ALDH1A1 (0.67) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL4848831 0.85 KMO (0.55) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL12552678 0.84 L3MBTL3 (0.52) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL19404305 0.83 TTR (0.56) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL4728265 0.83 TTR (0.53) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL593762 0.83 KMO (0.60) ALDH1A1HPGDTTRNPC1RAB9A
SCHEMBL593990 0.83 TTR (0.53) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL5480575 0.83 RAB9A (0.47) KDM4EALDH1A1HPGDGAAHSD17B10

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-8114873-B2 1,4-disubstituted naphthalenes as inhibitors of p38 map kinase ARQULE, INC. (US) 2012-02-14 US disclosed
US-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. (US) 2010-12-09 US disclosed
US-7829560-B2 1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase ARQULE, INC. (US) 2010-11-09 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
WO-2006010082-A1 1,4-DISUBSTITUTED NAPHTALENES AS INHIBITORS OF P38 MAP KINASE ARQULE, INC. (US) 2006-01-26 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 (2 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-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK7, MAP3K1 KDM4E 4385/4885ALDH1A1 757/4885HPGD 193/4885
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 KDM4E 4484/4885ALDH1A1 1153/4885HPGD 260/4885

“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.