SCHEMBL1306068

SCHEMBL1306068

CCCNN1CCCCC1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.34
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGD P15428 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
SCHEMBL24465005 0.77
SCHEMBL3739348 0.76
SCHEMBL18937423 0.73
SCHEMBL9222113 0.72
SCHEMBL24108670 0.70 GAA (0.33) CXCR4GAAALDH1A1MEN1KMT2A
SCHEMBL6017514 0.70
SCHEMBL8781621 0.70 CHRNB2 (0.46)
SCHEMBL3095721 0.69 GNAI3 (0.36)
SCHEMBL7515932 0.69 KMT2A (0.53) GAANPC1RAB9ANPSR1ALDH1A1
SCHEMBL8459145 0.68 HTT (0.56) CXCR4GAANPC1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131437-A1 DISUBSTITUTED UREAS AS KINASE INHIBITORS CORIUM INTERNATIONAL, INC. (US) 2009-05-21 US claimed
EP-1838700-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS Novartis AG (CH) 2007-10-03 EP claimed
WO-2006072589-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-07-13 WO claimed
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 US disclosed
US-20090131437-A1 DISUBSTITUTED UREAS AS KINASE INHIBITORS CORIUM INTERNATIONAL, INC. (US) 2009-05-21 US disclosed
EP-1838700-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS Novartis AG (CH) 2007-10-03 EP disclosed
WO-2006072589-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-07-13 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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 CXCR4 4172/4885GAA 688/4885NPC1 510/4885
US-20090131437-A1 DISUBSTITUTED UREAS AS KINASE INHIBITORS UCK2, ULK2, MAP3K1 CXCR4 3479/4885GAA 1410/4885NPC1 3468/4885

“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.