SCHEMBL6286288

SCHEMBL6286288

c1ccc2c(c1)-c1ccccc1-c1nnnnc1-c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
PTPRC P08575 3/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
APAF1 O14727 2/20 0.38
TDP2 O95551 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CES2 O00748 1/20 0.38
TERT O14746 1/20 0.38
PLIN1 O60240 1/20 0.38
S1PR4 O95977 1/20 0.38
PLA2G1B P04054 1/20 0.38

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
SCHEMBL11177294 0.71 LMNA (0.42) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL29711875 0.71 MEN1 (0.61) ALDH1A1PTPRCNPC1MAPTRAB9A
SCHEMBL28904690 0.71 MEN1 (0.61) ALDH1A1PTPRCNPC1MAPTRAB9A
SCHEMBL29543474 0.71 MEN1 (0.61) ALDH1A1PTPRCNPC1MAPTRAB9A
SCHEMBL49870 0.71 MEN1 (0.61) ALDH1A1PTPRCNPC1MAPTRAB9A
SCHEMBL4368339 0.71 MEN1 (0.61) ALDH1A1PTPRCNPC1MAPTRAB9A
SCHEMBL58152 0.71 MEN1 (0.61) ALDH1A1PTPRCNPC1MAPTRAB9A
SCHEMBL11875421 0.71 MEN1 (0.61) ALDH1A1PTPRCNPC1MAPTRAB9A
SCHEMBL29067593 0.71 MEN1 (0.61) ALDH1A1PTPRCNPC1MAPTRAB9A
SCHEMBL29437946 0.71 MEN1 (0.61) ALDH1A1PTPRCNPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6965028-B2 Rectangular supramolecules ACADEMIA SINICA (TW) 2005-11-15 US disclosed
US-6852249-B2 Prismatic supramolecules ACADEMIA SINICA (TW) 2005-02-08 US disclosed
US-20030171582-A1 Rectangular supramolecules ACADEMIA SINICA (TW) 2003-09-11 US disclosed
US-20030166920-A1 Prismatic supramolecules ACADEMIA SINICA (TW) 2003-09-04 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 (2 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-20030171582-A1 Rectangular supramolecules OR10J3, ORC3, AP3M1 ALDH1A1 3899/4885PTPRC 1943/4885NPC1 2547/4885
US-20030166920-A1 Prismatic supramolecules OPRM1, AP3M1, CCR1 ALDH1A1 4198/4885PTPRC 1592/4885NPC1 1759/4885

“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.