SCHEMBL13545833

SCHEMBL13545833

O=C(NCc1ccc(F)cc1)c1noc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
KMT2A Q03164 6/20 0.79
LMNA P02545 6/20 0.79
SMN1; SMN2 Q16637 7/20 0.77
RAB9A P51151 6/20 0.77
NPC1 O15118 5/20 0.77
GAA P10253 3/20 0.77
HPGD P15428 2/20 0.77
TSHR P16473 4/20 0.72
MAPT P10636 2/20 0.72
ATM Q13315 1/20 0.71
MEN1 O00255 3/20 0.67
MAPK1 P28482 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
HTT P42858 2/20 0.57
POLB P06746 1/20 0.57
ALOX15 P16050 1/20 0.57
MCL1 Q07820 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL13545772 0.88 KMT2A (0.81) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL13545783 0.88 KMT2A (1.00) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL13545832 0.87 GAA (1.00) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL13545782 0.87 ALDH1A1 (1.00) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL13545873 0.84 MAPT (1.00) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL13545814 0.82 ALDH1A1 (0.70) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL13545797 0.81 ALDH1A1 (0.68) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL3580641 0.81 ALDH1A1 (0.78) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL13545878 0.81 GAA (1.00) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL13545789 0.80 GAA (0.77) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A

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 2977/4885KMT2A 1405/4885LMNA 1875/4885

“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.