SCHEMBL3924702

SCHEMBL3924702

CCC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
MEN1 O00255 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGDS O60760 1/20 0.39
CNR1 P21554 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL2960085 0.84 ALDH1A1 (0.57) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL7488352 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL25210162 0.78 L3MBTL1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3927688 0.77 KMT2A (0.58) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL11147008 0.77 CNR1 (0.60) ALDH1A1KMT2AOPRM1OPRD1KDM4E
SCHEMBL13977996 0.76 ALDH1A1 (0.54) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL11148885 0.76 KMT2A (0.56) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL9192054 0.76 KMT2A (0.46) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL2088176 0.75 KMT2A (0.56) ALDH1A1KMT2AOPRM1OPRD1KDM4E
SCHEMBL16000808 0.74 KMT2A (0.54) ALDH1A1KMT2AOPRM1OPRD1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090186876-A1 Pyridine Analogues II ASTRAZENECA AB (SE) 2009-07-23 US disclosed
EP-2041111-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2009-04-01 EP disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2008002247-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20070244088-A1 New Pyridine Analogues II ASTRAZENECA AB (SE) 2007-10-18 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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 (5 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 ALDH1A1 1820/4885KMT2A 4642/4885OPRM1 1022/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 ALDH1A1 1638/4885KMT2A 4406/4885OPRM1 1459/4885
US-20070244088-A1 New Pyridine Analogues II P2RY12, P2RY1, P2RY11 ALDH1A1 2018/4885KMT2A 4222/4885OPRM1 1424/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 ALDH1A1 1274/4885KMT2A 3584/4885OPRM1 1835/4885
US-20090186876-A1 Pyridine Analogues II P2RY12, P2RY11, P2RY6 ALDH1A1 1602/4885KMT2A 4221/4885OPRM1 1085/4885

“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.