SCHEMBL2082832

SCHEMBL2082832

CCOC(=O)C(=CN[C@@H]1C[C@@H]1F)C(=O)c1ccc(Cl)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 7/20 0.35
KDM4E B2RXH2 4/20 0.35
DHODH Q02127 3/20 0.35
GAA P10253 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 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
SCHEMBL2082830 1.00 NPSR1 (0.38) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL9145758 0.86 NPSR1 (0.40) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL9145755 0.86 NPSR1 (0.40) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL13483616 0.84 KEAP1 (0.39) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL2081906 0.83 NPSR1 (0.37) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL9149464 0.81 NPSR1 (0.38) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL9149478 0.81 NPSR1 (0.38) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL9152339 0.81 NPSR1 (0.38) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL7849686 0.81 NPSR1 (0.40) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL9149471 0.81 NPSR1 (0.38) NPSR1MEN1KMT2AMAPTKDM4E

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 328/4885MEN1 3821/4885KMT2A 2835/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL NPSR1 336/4885MEN1 4011/4885KMT2A 3591/4885

“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.