SCHEMBL17040296

SCHEMBL17040296

CC(C)C(=O)NCCc1ccccc1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
MTNR1A P48039 2/20 0.51
MTNR1B P49286 1/20 0.51
NQO2 P16083 1/20 0.50
HRH1 P35367 1/20 0.50
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
GLI1 P08151 1/20 0.46
GLI2 P10070 1/20 0.46

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
SCHEMBL17037439 0.91 MTNR1A (0.48) CYP2D6CYP2C9CYP2C19KMT2AMTNR1A
SCHEMBL14521486 0.84 MTNR1A (0.72) KMT2AMTNR1AMTNR1BNQO2KDM4E
SCHEMBL8493643 0.83 RECQL (0.55) MTNR1AMTNR1BHRH1
SCHEMBL14521444 0.81 CYP2D6 (0.61) CYP2D6CYP2C9CYP2C19KMT2APOLB
SCHEMBL17040294 0.78 GLI1 (0.64) CYP2D6CYP2C9CYP2C19KMT2AGLI1
SCHEMBL24018828 0.77 HRH1 (0.61) CYP2D6CYP2C9HRH1L3MBTL1RIPK1
SCHEMBL10310258 0.77 HRH1 (0.57) MTNR1AMTNR1BHRH1L3MBTL1RIPK1
SCHEMBL31539989 0.77 HRH1 (0.53) MTNR1AMTNR1BHRH1KDM4EL3MBTL1
SCHEMBL18997892 0.75 KMT2A (0.57) CYP2D6CYP2C9CYP2C19KMT2AMTNR1A
SCHEMBL7866857 0.75 KMT2A (0.81) CYP2D6CYP2C9CYP2C19KMT2APOLB

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-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 CYP2D6 2313/4885CYP2C9 964/4885CYP2C19 533/4885

“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.