SCHEMBL17115248

SCHEMBL17115248

c1cc2oc3cnccc3c3c2c(c1)c1cccc2oc4cnccc4c3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 13/20 0.41
IDO1 P14902 8/20 0.41
ROCK2 O75116 2/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
IKBKB O14920 1/20 0.36
AURKA O14965 1/20 0.36
CHUK O15111 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PIM1 P11309 1/20 0.36
TOP1 P11387 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL19051921 0.96 IDO1 (0.42) TDO2IDO1ROCK2KDM4ELMNA
SCHEMBL19024326 0.90 IDO1 (0.38) TDO2IDO1ROCK2KDM4ECYP3A4
SCHEMBL17115237 0.90 IDO1 (0.38) TDO2IDO1ROCK2KDM4ECYP3A4
SCHEMBL19051919 0.84 TDO2 (0.33) TDO2IDO1ROCK2
SCHEMBL17099440 0.83 IDO1 (0.34) TDO2IDO1ROCK2KDM4EALDH1A1
SCHEMBL1338186 0.82 IDO1 (0.47) TDO2IDO1ROCK2KDM4ELMNA
SCHEMBL30524211 0.82 IDO1 (0.47) TDO2IDO1ROCK2KDM4ELMNA
SCHEMBL23947329 0.81 TDO2 (0.40) TDO2IDO1KDM4ELMNACYP1A2
SCHEMBL7974384 0.81 TDO2 (0.40) TDO2IDO1ROCK2ALDH1A1SMN1; SMN2
SCHEMBL24056383 0.81 TDO2 (0.46) TDO2IDO1ROCK2

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-20170183356-A1 New Imaging Agents and Methods of Identifying Same THR TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-06-29 US disclosed
US-20170183356-A1 New Imaging Agents and Methods of Identifying Same THR TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-06-29 US disclosed
US-20170183356-A1 New Imaging Agents and Methods of Identifying Same THR TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-06-29 US disclosed
WO-2015143349-A1 NEW IMAGING AGENTS AND METHODS OF IDENTIFYING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-09-24 WO 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-20170183356-A1 New Imaging Agents and Methods of Identifying Same DDX3X, DDX21, DAXX TDO2 3045/4885IDO1 825/4885ROCK2 277/4885

“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.