SCHEMBL498180

SCHEMBL498180

[CH2]CCCCC(=O)N(CC)CC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.70
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GBA1 P04062 2/20 0.35
KDM5A P29375 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 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
SCHEMBL7556079 0.98 LMNA (0.67) LMNAALDH1A1NPC1TSHRHPGD
SCHEMBL7555392 0.98 LMNA (0.67) LMNAALDH1A1NPC1TSHRHPGD
SCHEMBL5542370 0.98 LMNA (0.67) LMNAALDH1A1NPC1TSHRHPGD
SCHEMBL7558507 0.98 LMNA (0.67) LMNAALDH1A1NPC1TSHRHPGD
SCHEMBL7554998 0.98 LMNA (0.67) LMNAALDH1A1NPC1TSHRHPGD
SCHEMBL989052 0.98 LMNA (0.67) LMNAALDH1A1NPC1TSHRHPGD
SCHEMBL497604 0.93 LMNA (0.73) LMNAALDH1A1NPC1TSHRHPGD
SCHEMBL3306771 0.88 LMNA (0.89) LMNAALDH1A1NPC1TSHRHPGD
SCHEMBL18106721 0.88 LMNA (0.54) LMNAALDH1A1TSHRHPGDMAPK1
SCHEMBL13630657 0.85 LMNA (0.84) LMNAALDH1A1NPC1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104725613-A n-type water and alcohol soluble conjugated polymer material containing naphtho-diamide ring, and preparation method and application of material UNIV SOUTH CHINA TECH 2015-06-24 CN disclosed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-102604048-A Conjugated polymer photoelectric material containing amine oxide groups and application thereof UNIV SOUTH CHINA TECH 2012-07-25 CN disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 LMNA 4152/4885ALDH1A1 355/4885NPC1 2404/4885
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT LMNA 715/4885ALDH1A1 818/4885NPC1 1912/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI LMNA 1440/4885ALDH1A1 517/4885NPC1 2944/4885

“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.