SCHEMBL3969182

SCHEMBL3969182

[O]CC1(c2ccccc2)N=c2ccccc2=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.34
BACE2 Q9Y5Z0 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
REN P00797 1/20 0.32
APP P05067 1/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HCRTR1 O43613 1/20 0.31

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
SCHEMBL3969821 0.71 BACE1 (0.32) BACE1BACE2LMNACYP2C9KMT2A
SCHEMBL11264366 0.70 LMNA (0.38) BACE1BACE2LMNACYP2C9KMT2A
SCHEMBL4191636 0.70 KDM4E (0.35) LMNAMAPTKDM4EHCRTR1
SCHEMBL11852608 0.67 BACE1 (0.32) BACE1BACE2LMNACYP2C9KMT2A
SCHEMBL1284435 0.67 KMT2A (0.32) BACE1BACE2LMNACYP2C9KMT2A
SCHEMBL3973658 0.67 KDM4E (0.30) LMNAMAPTKDM4EHCRTR1
SCHEMBL3968948 0.67 KDM4E (0.33) LMNAMAPTKDM4EHCRTR1
SCHEMBL3968192 0.65
SCHEMBL3968506 0.65
SCHEMBL3972388 0.65 KDM4E (0.33) LMNAMAPTKDM4EHCRTR1

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-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 BACE1 72/4885BACE2 362/4885LMNA 435/4885

“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.