SCHEMBL12828537

SCHEMBL12828537

O=C(NCCn1ncnn1)C1=NOC(c2ccco2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
MLYCD O95822 3/20 0.32
YAP1 P46937 2/20 0.32
TEAD4 Q15561 2/20 0.32
RAB9A P51151 3/20 0.32
TEAD2 Q15562 1/20 0.32
POLB P06746 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
TSHR P16473 1/20 0.31
PLD2 O14939 1/20 0.31
PLD1 Q13393 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.30

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) MEN1KMT2AALDH1A1HPGDMLYCD
SCHEMBL12828524 0.81 NAMPT (0.41) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL12828280 0.77 RAB9A (0.55) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL12828534 0.77 MEN1 (0.37) MEN1KMT2AALDH1A1HPGDMLYCD
SCHEMBL12828993 0.75 RAB9A (0.44) ALDH1A1RAB9APOLBSMN1; SMN2NPC1
SCHEMBL12828997 0.74 MAPT (0.49) MEN1KMT2AALDH1A1RAB9APOLB
SCHEMBL12828600 0.74 RAB9A (0.43) ALDH1A1HPGDRAB9APOLBSMN1; SMN2
SCHEMBL12828532 0.74 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL12828868 0.74 SMN1; SMN2 (0.58) MEN1KMT2ATSHRSMN1; SMN2NPC1
SCHEMBL12828599 0.73 RAB9A (0.45) MEN1KMT2AALDH1A1HPGDRAB9A

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 MEN1 4845/4885KMT2A 4661/4885ALDH1A1 706/4885

“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.