SCHEMBL15218944

SCHEMBL15218944

CCC(=O)c1cc(C)[nH]n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.62
DAO P14920 1/20 0.62
ALPL P05186 2/20 0.50
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CYP3A4 P08684 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL28875184 0.79 HCAR2 (0.72) HCAR2DAOALPLHDAC3HDAC4
SCHEMBL11394619 0.78 HCAR2 (0.55) HCAR2DAOALPLHDAC3HDAC4
SCHEMBL1665229 0.77 DAO (0.58) HCAR2DAOALPLCYP3A4ALPI
SCHEMBL2629428 0.77
SCHEMBL220072 0.77
SCHEMBL18896222 0.76 HDAC3 (0.61) HCAR2DAOALPLHDAC3HDAC4
SCHEMBL17918630 0.76 HCAR3 (0.66) HCAR2LMNASMN1; SMN2HCAR3
SCHEMBL3760634 0.75
SCHEMBL4420054 0.75
SCHEMBL2629429 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-20130225562-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130225562-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 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-20130225562-A1 PYRIDYLTRIAZOLES CCNT1, CCNT2, MKI67 HCAR2 3601/4885DAO 4115/4885ALPL 1512/4885

“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.