SCHEMBL2302774

SCHEMBL2302774

O=C(NCCCO)c1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
POLB P06746 3/20 0.58
ACKR3 P25106 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HDAC6 Q9UBN7 5/20 0.54
NAMPT P43490 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.51
FOLH1 Q04609 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7393206 0.95 POLB (0.66) NPC1RAB9APOLBACKR3TMEM97
SCHEMBL12978565 0.93 POLB (0.64) NPC1RAB9APOLBACKR3TMEM97
SCHEMBL9717433 0.90 POLB (0.68) NPC1RAB9APOLBALDH1A1MAPK1
SCHEMBL5636368 0.89 NPC1 (0.62) NPC1RAB9APOLBACKR3TMEM97
SCHEMBL8989702 0.84 NPC1 (0.62) NPC1RAB9APOLBACKR3TMEM97
SCHEMBL6378992 0.84 NPC1 (0.62) NPC1RAB9APOLBACKR3TMEM97
SCHEMBL19133492 0.84 NPC1 (0.67) NPC1RAB9APOLBACKR3TMEM97
SCHEMBL9862834 0.83 HDAC3 (0.61) NPC1RAB9APOLBHDAC6NAMPT
SCHEMBL30074578 0.83 HPGD (0.68) NPC1RAB9APOLBACKR3TMEM97
SCHEMBL30418256 0.83 SIGMAR1 (0.75) NPC1RAB9APOLBACKR3TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY (US) 2013-04-25 US disclosed
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY (US) 2013-04-25 US disclosed
WO-2013048811-A1 IMAGING AND RADIOTHERAPY METHODS FOR TUMOUR STEM CELLS GE HEALTHCARE LIMITED (GB) 2013-04-04 WO disclosed
WO-2013048811-A1 IMAGING AND RADIOTHERAPY METHODS FOR TUMOUR STEM CELLS GE HEALTHCARE LIMITED (GB) 2013-04-04 WO disclosed
WO-2013048832-A1 18 F - LABELLED 6 - ( 2 - FLUOROETHOXY) - 2 - NAPHTHALDEHYDE FOR DETECTING CANCER STEM CELLS GE HEALTHCARE LIMITED (GB) 2013-04-04 WO disclosed
WO-2013048832-A1 18 F - LABELLED 6 - ( 2 - FLUOROETHOXY) - 2 - NAPHTHALDEHYDE FOR DETECTING CANCER STEM CELLS GE HEALTHCARE LIMITED (GB) 2013-04-04 WO disclosed
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY 2011-11-24 US disclosed
EP-2349351-A2 IMAGING AND RADIOTHERAPY METHODS GE Healthcare Limited (GB) 2011-08-03 EP disclosed
WO-2010048144-A2 IMAGING AND RADIOTHERAPY METHODS GE HEALTHCARE LIMITED (GB) 2010-04-29 WO disclosed
WO-2010048144-A2 IMAGING AND RADIOTHERAPY METHODS GE HEALTHCARE LIMITED (GB) 2010-04-29 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-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 NPC1 1239/4885RAB9A 2097/4885POLB 1591/4885
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 NPC1 1239/4885RAB9A 2097/4885POLB 1591/4885

“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.