SCHEMBL2087623

SCHEMBL2087623

CCCOc1c(C(N)=O)ccc(C)c1N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 4/20 0.38
THRB P10828 2/20 0.38
TSHR P16473 2/20 0.38
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
YWHAG P61981 1/20 0.36
PLAU P00749 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL2088703 0.99 NPC1 (0.38) NPC1HPGDTP53SMN1; SMN2ALDH1A1
SCHEMBL2090404 0.88 TP53 (0.42) NPC1HPGDTP53SMN1; SMN2ALDH1A1
SCHEMBL2087120 0.87 TP53 (0.40) NPC1HPGDTP53SMN1; SMN2ALDH1A1
SCHEMBL474502 0.79 NPC1 (0.44) NPC1HPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL2087637 0.76 MRGPRX4 (0.36) HPGDTP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL18426844 0.73 NPC1 (0.46) NPC1HPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL5092225 0.72 NPC1 (0.57) NPC1SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL9544174 0.71 ALDH1A1 (0.47) NPC1HPGDSMN1; SMN2ALDH1A1HTT
Bromide SCHEMBL9763941 0.70 ALDH1A1 (0.46) NPC1HPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL3052982 0.70 ALDH1A1 (0.43) NPC1HPGDSMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863450-B2 Compounds comprising an oxazoline or thiazoline moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2011-01-04 US disclosed
US-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-07-03 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 (1 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-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses NR1H3, NR1I3, NR1I2 NPC1 638/4885HPGD 1830/4885TP53 4539/4885

“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.