SCHEMBL104531

SCHEMBL104531

COC(=O)c1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PRMT1 Q99873 1/20 0.43
ALDH1A1 P00352 5/20 0.42
WDR5 P61964 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR2 P34972 1/20 0.41
SLC6A9 P48067 1/20 0.41
HTR1A P08908 2/20 0.40

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
SCHEMBL104532 1.00 NPC1 (0.46) NPC1KMT2AMEN1MAPTHPGD
SCHEMBL106733 0.88 NPC1 (0.62) NPC1KMT2AMEN1MAPTHPGD
SCHEMBL106732 0.88 NPC1 (0.62) NPC1KMT2AMEN1MAPTHPGD
SCHEMBL104179 0.85 NPC1 (0.43) NPC1KMT2AMEN1MAPTHPGD
SCHEMBL104178 0.85 NPC1 (0.43) NPC1KMT2AMEN1MAPTHPGD
SCHEMBL104180 0.85 NPC1 (0.43) NPC1KMT2AMEN1MAPTHPGD
SCHEMBL103094 0.84 MAPT (0.59) KMT2AMEN1MAPTHPGDCYP1A2
SCHEMBL103095 0.84 MAPT (0.59) KMT2AMEN1MAPTHPGDCYP1A2
SCHEMBL103345 0.75 GSK3B (0.40) MAPTHPGDPRMT1ALDH1A1KDM4E
SCHEMBL103346 0.75 GSK3B (0.40) MAPTHPGDPRMT1ALDH1A1KDM4E

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
CN-102438991-B Carbinol compounds having a heterocyclic linker KOWA CO.,LTD. (JP) 2015-08-26 CN disclosed
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 NPC1 163/4885KMT2A 2327/4885MEN1 3479/4885

“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.