SCHEMBL13545811

SCHEMBL13545811

CCN(Cc1ccccc1)C(=O)c1noc2c1CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ HPGD P15428 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.54
▸ GAA P10253 2/20 0.54
▸ SCD5 Q86SK9 3/20 0.52
▸ SCD O00767 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MAPK1 P28482 2/20 0.49

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
SCHEMBL13545799 0.90 LMNA (0.54) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13545817 0.85 LMNA (0.59) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13545876 0.83 MAPT (0.53) LMNASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL13545866 0.73 SMN1; SMN2 (0.55) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13545864 0.73 SMN1; SMN2 (0.54) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14140606 0.72 LMNA (0.46) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13545805 0.72 LMNA (0.46) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13545851 0.70 ALDH1A1 (0.48) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13545860 0.70 SMN1; SMN2 (0.53) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL25138742 0.70 HDAC1 (0.71) LMNAKMT2ASMN1; SMN2HPGDALDH1A1

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 LMNA 1875/4885KMT2A 1405/4885NPC1 4626/4885

“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.

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