SCHEMBL12828524

SCHEMBL12828524

O=C(NCCn1cccn1)C1=NOC(c2ccco2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.41
RAB9A P51151 1/20 0.39
KMT2A Q03164 6/20 0.37
PDE7B Q9NP56 1/20 0.35
MEN1 O00255 3/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL12828281 0.82 KMT2A (0.40) NAMPTRAB9AKMT2AMEN1TSHR
SCHEMBL12828537 0.81 MEN1 (0.34) RAB9AKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL12828868 0.79 SMN1; SMN2 (0.58) NAMPTKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL12828993 0.78 RAB9A (0.44) NAMPTRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12828280 0.78 RAB9A (0.55) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL12828534 0.77 MEN1 (0.37) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL12828538 0.76 SMN1; SMN2 (0.38) NAMPTKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL12828886 0.76 NAMPT (0.48) NAMPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL12828997 0.75 MAPT (0.49) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL12828600 0.75 RAB9A (0.43) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4E

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 NAMPT 1189/4885RAB9A 2013/4885KMT2A 4661/4885

“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.