SCHEMBL13545802

SCHEMBL13545802

O=C(NC(CCO)c1ccccc1)c1noc2c1CCCC2

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
LMNA P02545 4/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 7/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
HPGD P15428 1/20 0.57
GAA P10253 3/20 0.55
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 2/20 0.49
TSHR P16473 1/20 0.49
SCD5 Q86SK9 3/20 0.48
SCD O00767 1/20 0.48
TP53 P04637 2/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL13545792 0.91 ALDH1A1 (0.69) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545753 0.91 ALDH1A1 (0.69) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545827 0.91 ALDH1A1 (0.69) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545786 0.87 ALDH1A1 (0.71) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545813 0.86 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545826 0.84 LMNA (0.63) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545796 0.83 ALDH1A1 (0.76) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545771 0.83 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1SMN1; SMN2GAA
SCHEMBL14140710 0.81 ALDH1A1 (0.98) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545834 0.81 ALDH1A1 (0.98) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2

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-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2010-01-28 US disclosed
US-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2010-01-28 US disclosed
WO-2008080455-A1 TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2008-07-10 WO 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-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN CCNB3, TUBB3, CCNB1 ALDH1A1 2977/4885LMNA 1875/4885MAPK1 2172/4885

“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.