SCHEMBL283337

SCHEMBL283337

N/C(=N/O)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
PKM P14618 7/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MITF O75030 2/20 0.53
CDK5 Q00535 2/20 0.53
CDK5R1 Q15078 2/20 0.53
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NOS3 P29474 2/20 0.49
NOS1 P29475 2/20 0.49
NOS2 P35228 2/20 0.49
NAPRT Q6XQN6 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL640709 1.00 KDM4E (0.59) KDM4EPKMNPC1RAB9AMITF
SCHEMBL283338 1.00 KDM4E (0.59) KDM4EPKMNPC1RAB9AMITF
Hydrochloric Acid SCHEMBL29620972 0.98 KDM4E (0.57) KDM4EPKMNPC1RAB9AMITF
SCHEMBL18653617 0.84 NPC1 (0.54) KDM4EPKMNPC1RAB9AMITF
SCHEMBL834329 0.83 KDM4E (0.54) KDM4EPKMNPC1RAB9AMITF
SCHEMBL1428592 0.83 KDM4E (0.54) KDM4EPKMNPC1RAB9AMITF
SCHEMBL12560610 0.83 KDM4E (0.54) KDM4EPKMNPC1RAB9AMITF
SCHEMBL24170743 0.81 PKM (0.51) KDM4EPKMNPC1RAB9AMITF
SCHEMBL2931559 0.81 LMNA (0.54) KDM4EPKMNPC1RAB9AMITF
SCHEMBL22872697 0.81 LMNA (0.54) KDM4EPKMNPC1RAB9AMITF

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-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
EP-2334646-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-06-22 EP disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US 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-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R KDM4E 1649/4885PKM 4281/4885NPC1 690/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R KDM4E 1649/4885PKM 4281/4885NPC1 690/4885

“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.