SCHEMBL3680844

SCHEMBL3680844

CCOC(=O)C1=C(NC(=O)CCCCBr)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 6/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PARP1 P09874 1/20 0.37
THRB P10828 1/20 0.37
CNR2 P34972 1/20 0.36
RAB9A P51151 1/20 0.36
HCAR2 Q8TDS4 3/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 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
SCHEMBL8123448 0.78 MAPT (0.41) KDM4EKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL8120086 0.77 ALDH1A1 (0.49) KDM4EKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5657293 0.77 ALDH1A1 (0.44) KDM4EKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL8123908 0.77 MAPT (0.41) KDM4EKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5657798 0.76 ALDH1A1 (0.43) KDM4EKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5657803 0.76 ALDH1A1 (0.43) KDM4EKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL8114870 0.75 TSHR (0.41) KDM4EKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5656216 0.74 ALDH1A1 (0.44) KDM4EKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL8127706 0.74 ALDH1A1 (0.52) KDM4EKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL11898141 0.73 POLB (0.48) KDM4EKMT2AMAPK1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 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 (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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A KDM4E 4558/4885KMT2A 3783/4885MAPK1 2180/4885

“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.