SCHEMBL2964413

SCHEMBL2964413

COc1cc(OCCCl)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 10/20 0.50
LMNA P02545 5/20 0.47
ALDH1A1 P00352 11/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 2/20 0.46
RECQL P46063 1/20 0.46
ALPG P10696 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL17197367 0.94 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5314804 0.92 KMT2A (0.46) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3534158 0.88 RAB9A (0.56) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2969471 0.88 ALDH1A1 (0.52) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1697621 0.87 MAPT (0.67) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6377931 0.87 KMT2A (0.57) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL657693 0.85 CHEK1 (0.53) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL22955262 0.85 KMT2A (0.52) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8789817 0.84 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL224201 0.83 KMT2A (0.50) KMT2ASMN1; SMN2NPC1RAB9AMAPT

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 KMT2A 1492/4885SMN1; SMN2 4236/4885NPC1 1193/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 KMT2A 1492/4885SMN1; SMN2 4236/4885NPC1 1193/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 KMT2A 1204/4885SMN1; SMN2 4067/4885NPC1 1130/4885

“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.