SCHEMBL5755765

SCHEMBL5755765

O=C(N[C@H](CCC1CCCCC1)C(=S)Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CSCN1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
LTA4H P09960 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GALR3 O60755 1/20 0.37
ACACB O00763 3/20 0.36
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRN P28799 2/20 0.35
SORT1 Q99523 2/20 0.35
ACACA Q13085 1/20 0.35
NPY5R Q15761 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
SCHEMBL5355008 0.89 CACNA1B (0.38) KMT2AGAAACACBHTR2CGRN
SCHEMBL5755761 0.83 CACNA1B (0.45) KMT2ALTA4HGAAMEN1RAB9A
SCHEMBL4843557 0.81 CACNA1B (0.43) RAB9ANPC1HTR2CALDH1A1MAPT
SCHEMBL5353066 0.81 KMT2A (0.44) KMT2ALTA4HGAAMEN1RAB9A
Hydrochloric Acid SCHEMBL4841873 0.80 CACNA1B (0.43) RAB9ANPC1HTR2CALDH1A1MAPT
SCHEMBL5756038 0.80 CACNA1B (0.46) KMT2ALTA4HGAAMEN1RAB9A
SCHEMBL5355003 0.76 CACNA1B (0.54) KMT2AGAAACACBHTR2CSMN1; SMN2
SCHEMBL5349886 0.76 HTR2C (0.51) LTA4HRAB9AHTR2C
Hydrochloric Acid SCHEMBL5351930 0.75 HTR2C (0.51) LTA4HRAB9AHTR2C
SCHEMBL5113614 0.75 ENPP2 (0.42) KMT2AMEN1RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A KMT2A 1929/4885LTA4H 2277/4885GAA 3754/4885

“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.