SCHEMBL6606973

SCHEMBL6606973

CN(C)C(=O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
ERN1 O75460 3/20 0.51
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
BCL2 P10415 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.46
HAO1 Q9UJM8 1/20 0.46
LSS P48449 2/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL642860 0.94 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDERN1CES2
SCHEMBL10626283 0.89 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDERN1MMP2
SCHEMBL22545672 0.85 SMN1; SMN2 (0.63) SMN1; SMN2MAPTHTTCYP3A4CYP2C9
SCHEMBL1004649 0.82 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDERN1MMP2
SCHEMBL13670740 0.81 MEN1 (0.51) ALDH1A1SMN1; SMN2HPGDCES2CES1
SCHEMBL5937241 0.81 CSNK2A1 (0.62) ALDH1A1SMN1; SMN2HPGDERN1MMP2
SCHEMBL2047793 0.81 HPGD (0.63) ALDH1A1SMN1; SMN2HPGDERN1MAPT
SCHEMBL26680622 0.81 HSD17B1 (0.59) ALDH1A1SMN1; SMN2HPGDERN1MMP2
SCHEMBL16574187 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDERN1CES2
SCHEMBL4113301 0.80 MAOA (0.58) SMN1; SMN2LMNARAB9AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492266-B1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-8785462-B2 5-hydroxypyrimidine-4-carboxamide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120220609-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
EP-2492266-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-08-29 EP disclosed
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN disclosed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 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 (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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 ALDH1A1 440/4885SMN1; SMN2 1918/4885HPGD 163/4885
US-20120220609-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE EPOR, EGLN2, EGLN1 ALDH1A1 388/4885SMN1; SMN2 3094/4885HPGD 320/4885

“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.