SCHEMBL1123793

SCHEMBL1123793

Cc1cccc(N2CCN(c3nc(N4CCOCC4)c(F)c(N4CCOCC4)n3)CC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 5/20 0.46
HTT P42858 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
ADRB1 P08588 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 1/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL1123862 0.95 LMNA (0.46) LMNAHSD17B10TP53MAPTHTT
SCHEMBL1123781 0.95 LMNA (0.46) LMNAHSD17B10TP53MAPTHTT
SCHEMBL1123716 0.95 LMNA (0.46) LMNAHSD17B10TP53MAPTHTT
SCHEMBL1123914 0.93 ADRB1 (0.56) LMNAHSD17B10TP53MAPTHTT
SCHEMBL15334796 0.93 ADRB1 (0.56) LMNAHSD17B10TP53MAPTHTT
SCHEMBL1124072 0.93 ADRB1 (0.56) LMNAHSD17B10TP53MAPTHTT
SCHEMBL1124147 0.90 HSD17B10 (0.53) HSD17B10MAPTHTTALDH1A1KDM4E
SCHEMBL1124125 0.90 HSD17B10 (0.53) HSD17B10MAPTHTTALDH1A1KDM4E
SCHEMBL1123872 0.87 ALDH1A1 (0.47) LMNAHSD17B10TP53MAPTALDH1A1
SCHEMBL1123871 0.86 ALDH1A1 (0.47) LMNAHSD17B10TP53MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
EP-2284160-B1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KK (JP) 2013-05-15 EP disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 EP disclosed
WO-2009123221-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF 全薬工業株式会社 (JP) 2009-10-08 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-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF CASP3, DPYD, CASP1 LMNA 1872/4885HSD17B10 1975/4885TP53 258/4885
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES PNLIP, PDXK, DGKK LMNA 895/4885HSD17B10 1216/4885TP53 2622/4885

“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.