SCHEMBL4923091

SCHEMBL4923091

O=C(Nc1ccc2c(c1)OCCCO2)Nc1cc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.53
NPC1 O15118 13/20 0.53
SMN1; SMN2 Q16637 10/20 0.53
MAPT P10636 9/20 0.53
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
POLB P06746 3/20 0.53
TP53 P04637 2/20 0.48
PKM P14618 2/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 3/20 0.46
BAZ1A Q9NRL2 1/20 0.46
MAPK1 P28482 1/20 0.46
ALOX12 P18054 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4919628 0.77 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL22274915 0.76 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL14470414 0.76 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4921114 0.75 MAPT (0.52) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4920495 0.73 MAPT (0.59) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4918661 0.72 KDM4E (0.49) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL12611073 0.71 CYP1A2 (0.63) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL12692443 0.71 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL30597799 0.70 HSF1 (0.60) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL26136510 0.70 HSF1 (0.60) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 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-20080261952-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R RAB9A 3359/4885NPC1 148/4885SMN1; SMN2 3931/4885
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R RAB9A 3359/4885NPC1 148/4885SMN1; SMN2 3931/4885

“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.