SCHEMBL2081906

SCHEMBL2081906

CCOC(=O)C(=CN[C@@H]1C[C@@H]1F)C(=O)c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.37
DHODH Q02127 2/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 7/20 0.36
GAA P10253 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
GPR35 Q9HC97 1/20 0.34
RECQL P46063 1/20 0.34
METTL3 Q86U44 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9149464 0.85 NPSR1 (0.38) NPSR1DHODHMEN1KMT2AMAPT
SCHEMBL9149478 0.85 NPSR1 (0.38) NPSR1DHODHMEN1KMT2AMAPT
SCHEMBL9152339 0.85 NPSR1 (0.38) NPSR1DHODHMEN1KMT2AMAPT
SCHEMBL9149471 0.85 NPSR1 (0.38) NPSR1DHODHMEN1KMT2AMAPT
SCHEMBL7849686 0.83 NPSR1 (0.40) NPSR1DHODHMEN1KMT2AMAPT
SCHEMBL2082832 0.83 NPSR1 (0.38) NPSR1DHODHMEN1KMT2AMAPT
SCHEMBL2082830 0.83 NPSR1 (0.38) NPSR1DHODHMEN1KMT2AMAPT
SCHEMBL9152369 0.81 CES2 (0.40) NPSR1DHODHMEN1KMT2AMAPT
SCHEMBL9152357 0.81 CES2 (0.40) NPSR1DHODHMEN1KMT2AMAPT
SCHEMBL9152365 0.81 CES2 (0.40) NPSR1DHODHMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP 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 (2 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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L NPSR1 328/4885DHODH 661/4885MEN1 3821/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL NPSR1 336/4885DHODH 1109/4885MEN1 4011/4885

“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.