SCHEMBL10045808

SCHEMBL10045808

COC(=O)c1cccc(C(N)COCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
SLC1A1 P43005 1/20 0.44
MAPK14 Q16539 1/20 0.41
CES1 P23141 3/20 0.41
CNR1 P21554 1/20 0.40
TACR1 P25103 2/20 0.40
KMT2A Q03164 1/20 0.40
SLC7A5 Q01650 1/20 0.40
FAAH O00519 1/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39

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
SCHEMBL10074433 0.80 CYP1A2 (0.39) KMT2A
SCHEMBL800987 0.80 CYP1A2 (0.46)
SCHEMBL800520 0.78 DAGLA (0.47) TAAR1SLC1A1CNR1TACR1MMP2
SCHEMBL10045803 0.76 CES1 (0.44) CES1FAAHNCEH1
SCHEMBL23119691 0.75 CA1 (0.57)
SCHEMBL30081175 0.75 CA1 (0.57)
SCHEMBL2059074 0.74 SLC1A1 (0.57) SLC1A1TACR1KMT2A
SCHEMBL1279255 0.74 SLC1A1 (0.57) SLC1A1TACR1KMT2A
SCHEMBL2389104 0.74 SLC1A1 (0.57) SLC1A1TACR1KMT2A
SCHEMBL16108509 0.73 LMNA (0.50) CES1FAAH

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-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL TAAR1 2978/4885SLC1A1 4126/4885MAPK14 3982/4885

“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.