SCHEMBL2633158

SCHEMBL2633158

CC(C)c1cc(-c2ccc(C(=O)O)cc2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
KMO O15229 7/20 0.45
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 1/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EGFR P00533 2/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
LDHA P00338 1/20 0.40

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
SCHEMBL30559643 0.83 KMO (0.56) LOXL2KMORXRARXRBRAB9A
SCHEMBL8255870 0.80 ASIC3 (0.53) KMORAB9ANPC1SMN1; SMN2TP53
SCHEMBL16380507 0.79 LOXL2 (0.49) LOXL2KMORXRARXRBRAB9A
SCHEMBL12891149 0.77 CYP1A2 (0.44) EGFRTP53CYP1A2CYP2C9CLK4
SCHEMBL14063538 0.76 RXRA (0.54) LOXL2RXRARXRBRXRGKDM4E
SCHEMBL25754733 0.74 FAAH (0.46) RAB9ANPC1SMN1; SMN2TP53
SCHEMBL2627853 0.73 TARS1 (0.36) KMORAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL22645101 0.73 KMT2A (0.38) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL4900073 0.73 KMO (0.69) KMORXRARXRBCYP1A2KDM4E
SCHEMBL19919584 0.71 KMO (0.46) KMOKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095001-A1 SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES MERCK SHARP & DOHME CORP. (US) 2012-04-19 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-20120095001-A1 SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES HIF1AN, HIF1A, EGLN2 LOXL2 2794/4885KMO 1662/4885RXRA 1621/4885

“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.