SCHEMBL13844764

SCHEMBL13844764

Cc1ccc(SCCN2C(=O)CCCN2CCC(C)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PTGER4 P35408 2/20 0.40
PTGER2 P43116 2/20 0.40
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL13844765 0.86 PTGER4 (0.38) NPC1RAB9AKMT2APTGER4PTGER2
SCHEMBL13844697 0.83 PTGER2 (0.56) PTGER4PTGER2SMN1; SMN2CYP2C19
SCHEMBL13844763 0.82 ALDH1A1 (0.43) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL13844700 0.81 PTGER2 (0.49) PTGER4PTGER2
SCHEMBL13844775 0.81 PTGER2 (0.38) KMT2APTGER4PTGER2
SCHEMBL13844771 0.79 PTGER2 (0.41) PTGER4PTGER2
SCHEMBL13844787 0.77 GAA (0.45) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL13844684 0.75 PTGER2 (0.41) KMT2APTGER4PTGER2
SCHEMBL13844753 0.74 PTGER4 (0.52) NPC1RAB9APTGER4PTGER2
SCHEMBL13844701 0.74 POLB (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1

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-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 NPC1 3052/4885RAB9A 2206/4885KMT2A 4051/4885

“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.