SCHEMBL1950322

SCHEMBL1950322

Nc1cnc2ccccc2c1NCCNC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
BCHE P06276 3/20 0.45
ACHE P22303 3/20 0.45
POLB P06746 3/20 0.43
RAD52 P43351 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
GLA P06280 1/20 0.43
RAB9A P51151 1/20 0.43
TOP2A P11388 3/20 0.43
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL1950078 0.92 POLB (0.46) KMT2AMEN1PKMBCHEACHE
SCHEMBL1959406 0.92 POLB (0.46) KMT2AMEN1PKMACHEPOLB
SCHEMBL26981094 0.84 GRM5 (0.49) KMT2APOLBRAD52ALDH1A1KDM4E
SCHEMBL3861888 0.82 MAPK1 (0.41) BCHEACHEGAAALDH1A1KDM4E
SCHEMBL1232910 0.82 BCHE (0.52) KMT2AMEN1PKMBCHEACHE
SCHEMBL5510128 0.82 HDAC1 (0.36) KMT2AMEN1PKMBCHEACHE
SCHEMBL6493232 0.81 KDM4E (0.61) KMT2AMEN1PKMPOLBRAD52
SCHEMBL204050 0.81 KMT2A (0.41) KMT2AMEN1PKMPOLBGAA
SCHEMBL3865905 0.81 ACHE (0.50) BCHEACHERAB9A
SCHEMBL4540300 0.80 CACNA2D1 (0.44) KMT2AMEN1PKMPOLBALDH1A1

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
US-20110136801-A1 Novel Compounds DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2011-06-09 US disclosed
EP-1682544-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-05-06 EP disclosed
US-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-04-23 US disclosed
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. 2009-02-12 US disclosed
EP-1685129-A4 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-22 EP disclosed
EP-1685129-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-08-02 EP disclosed
EP-1682544-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-07-26 EP disclosed
WO-2005048933-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO disclosed
WO-2005048945-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 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 (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-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES IL2, IL4, IFNG KMT2A 1555/4885MEN1 3997/4885PKM 1972/4885
US-20110136801-A1 Novel Compounds C1R, RB1, CNKSR1 KMT2A 3167/4885MEN1 181/4885PKM 1840/4885
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES IFNG, IL2, IRF3 KMT2A 1931/4885MEN1 4500/4885PKM 2820/4885

“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.