SCHEMBL13545786

SCHEMBL13545786

CCC(NC(=O)c1noc2c1CCCC2)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
LMNA P02545 4/20 0.71
MAPK1 P28482 2/20 0.71
KMT2A Q03164 5/20 0.59
SMN1; SMN2 Q16637 10/20 0.58
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
HPGD P15428 2/20 0.58
GAA P10253 1/20 0.56
HSD17B10 Q99714 4/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.54
NR4A1 P22736 2/20 0.54
RECQL P46063 2/20 0.54
ESR2 Q92731 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ESR1 P03372 1/20 0.54
MEN1 O00255 3/20 0.53
TP53 P04637 4/20 0.51

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 0.89 ALDH1A1 (0.69) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545753 0.89 ALDH1A1 (0.69) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545827 0.89 ALDH1A1 (0.69) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545813 0.87 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545802 0.87 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545826 0.84 LMNA (0.63) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545834 0.84 ALDH1A1 (0.98) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545765 0.84 ALDH1A1 (0.98) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL14140710 0.84 ALDH1A1 (0.98) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL13545796 0.84 ALDH1A1 (0.76) 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.