SCHEMBL12824322

SCHEMBL12824322

O=Cc1cnc(N2CCCOC2)s1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 4/20 0.51
KCNJ1 P48048 1/20 0.41
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
MDM2 Q00987 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL12824606 0.88 ALDH1A1 (0.71) ALDH1A1TDP1MAPTKCNJ1KDM4E
SCHEMBL12824361 0.82 ALDH1A1 (0.96) ALDH1A1TDP1MAPTKCNJ1KDM4E
SCHEMBL1852489 0.81 ALDH1A1 (0.70) ALDH1A1TDP1MAPTKCNJ1KDM4E
SCHEMBL12515889 0.80 ALDH1A1 (1.00) ALDH1A1TDP1MAPTKCNJ1KDM4E
SCHEMBL13711958 0.80 ALDH1A1 (1.00) ALDH1A1TDP1MAPTKCNJ1KDM4E
SCHEMBL12744156 0.75 ALDH1A1 (0.36) ALDH1A1TDP1MAPTKDM4EGAA
SCHEMBL12824499 0.72 ALDH1A1 (0.72) ALDH1A1TDP1MAPTKCNJ1KDM4E
SCHEMBL7231518 0.71 ALDH1A1 (0.70) ALDH1A1TDP1MAPTKCNJ1KDM4E
SCHEMBL1554083 0.71 TDP1 (1.00) ALDH1A1TDP1MAPTKCNJ1MEN1
SCHEMBL12744157 0.68 NPC1 (0.41) ALDH1A1TDP1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910579-B2 Benzoxazole derivatives TOHOKU UNIVERSITY (JP) 2011-03-22 US disclosed
US-20100021385-A1 BENZOXAZOLE DERIVATIVES TOHOKU UNIVERSITY (JP) 2010-01-28 US disclosed
EP-2103611-A1 BENZOXAZOLE DERIVATIVES Tohoku University (JP) 2009-09-23 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-20100021385-A1 BENZOXAZOLE DERIVATIVES CBX7, KIT, BMX ALDH1A1 1195/4885TDP1 1704/4885MAPT 1385/4885

“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.