SCHEMBL1808077

SCHEMBL1808077

COC(=O)c1cnc(SCc2ccccc2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
ALDH1A1 P00352 4/20 0.62
TSHR P16473 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
HTT P42858 2/20 0.60
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
PKM P14618 1/20 0.56
GAA P10253 1/20 0.54
GFER P55789 1/20 0.54
MAPT P10636 3/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL1806643 0.80 L3MBTL1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL1991539 0.77 SMN1; SMN2 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL2221978 0.76 AHR (0.55) RAB9ANPC1ALDH1A1LMNATDP1
SCHEMBL4234036 0.74 ALDH1A1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL5120763 0.73 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL31568285 0.72 ALDH1A1 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL8590367 0.72 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL8630241 0.72 L3MBTL1 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL8628655 0.72 POLB (0.65) RAB9ASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL23207044 0.72 L3MBTL1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR

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
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 EP 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-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 RAB9A 2642/4885NPC1 668/4885SMN1; SMN2 932/4885

“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.