SCHEMBL10129706

SCHEMBL10129706

Nc1ccc(NCCN2CCOCC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 4/20 0.53
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
ALOX15 P16050 3/20 0.53
POLB P06746 3/20 0.53
ACP1 P24666 3/20 0.53
SMARCA2 P51531 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 2/20 0.53
MITF O75030 1/20 0.53
HPGD P15428 1/20 0.53
TOP2A P11388 1/20 0.49
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
TSHR P16473 3/20 0.46
HIF1A Q16665 2/20 0.46

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
SCHEMBL29504400 0.82 KMT2A (0.51) KMT2ALMNAMEN1HSD17B10KDM4E
SCHEMBL6528435 0.82 KMT2A (0.51) KMT2ALMNAMEN1HSD17B10KDM4E
SCHEMBL11604511 0.80 KDM4E (0.67) KMT2ALMNAMEN1HSD17B10KDM4E
SCHEMBL5171284 0.78 KDM4E (0.57) KMT2ALMNAMEN1HSD17B10KDM4E
SCHEMBL15923005 0.76 HRH3 (0.76) KMT2ALMNAMEN1KDM4EPOLB
SCHEMBL2942637 0.75 AAK1 (0.48) KMT2ALMNAMEN1KDM4EPOLB
SCHEMBL8652704 0.75 HDAC3 (0.51) KMT2ALMNAMEN1KDM4EPOLB
SCHEMBL28445058 0.75 KMT2A (0.48) KMT2ALMNAMEN1KDM4EMAPT
SCHEMBL1519175 0.75 KMT2A (0.46) KMT2ALMNAMEN1KDM4EPOLB
SCHEMBL7973929 0.74 POLB (0.54) KMT2ALMNAHSD17B10KDM4EMAPT

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 8 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-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-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-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
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 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 (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 KMT2A 4105/4885LMNA 1038/4885MEN1 1707/4885
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 KMT2A 4205/4885LMNA 1679/4885MEN1 2910/4885

“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.