SCHEMBL12828600

SCHEMBL12828600

O=C(NCCc1ccc(Br)cc1)C1=NOC(c2ccco2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
APOBEC3A P31941 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKT3 Q9Y243 1/20 0.36

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
SCHEMBL12828280 0.90 RAB9A (0.55) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12828997 0.89 MAPT (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12828599 0.88 RAB9A (0.45) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12828993 0.88 RAB9A (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12828533 0.85 ALPL (0.43) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12828886 0.83 NAMPT (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12828521 0.82 TP53 (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12828881 0.82 ALDH1A1 (0.55) SMN1; SMN2L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL12828532 0.79 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12828281 0.76 KMT2A (0.40) RAB9ASMN1; SMN2ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 RAB9A 2013/4885NPC1 2242/4885SMN1; SMN2 3980/4885

“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.