SCHEMBL1806643

SCHEMBL1806643

COC(=O)c1cnc(SCc2ccccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
TP53 P04637 2/20 0.56
PKM P14618 1/20 0.56
METAP2 P50579 1/20 0.55
TSHR P16473 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HSD17B10 Q99714 1/20 0.51
HPGD P15428 3/20 0.50
MAPK1 P28482 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL2302038 0.81 TP53 (0.68) L3MBTL1TP53PKMMETAP2TSHR
SCHEMBL1808077 0.80 RAB9A (0.62) L3MBTL1PKMMETAP2TSHRSMN1; SMN2
SCHEMBL26623811 0.79 L3MBTL1 (0.49) L3MBTL1TP53PKMMETAP2TSHR
SCHEMBL31296540 0.79 L3MBTL1 (0.49) L3MBTL1TP53PKMMETAP2TSHR
SCHEMBL30695503 0.76 HPGD (0.70) L3MBTL1TP53PKMMETAP2TSHR
SCHEMBL18158947 0.75 MEN1 (0.54) L3MBTL1PKMTSHRSMN1; SMN2RAB9A
SCHEMBL3916950 0.74 RAB9A (0.61) L3MBTL1TP53TSHRSMN1; SMN2RAB9A
SCHEMBL2316603 0.73 TSHR (0.59) L3MBTL1TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL31650484 0.72 SMN1; SMN2 (0.49) L3MBTL1TP53PKMMETAP2TSHR
SCHEMBL18424501 0.72 ALDH1A1 (0.44) L3MBTL1PKMTSHRRAB9ANPC1

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 L3MBTL1 1798/4885TP53 2725/4885PKM 3880/4885

“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.