SCHEMBL8443294

SCHEMBL8443294

NC1CCC(C(=O)NCCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
TLR2 O60603 2/20 0.40
NAAA Q02083 1/20 0.40
EPHX1 P07099 1/20 0.37
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL3987516 0.89
SCHEMBL2226371 0.82 NAAA (0.50) KMT2ALMNATLR2NAAAEPHX1
SCHEMBL19301621 0.81 NAAA (0.52) KMT2ALMNANAAAEPHX1SMN1; SMN2
SCHEMBL15739433 0.81 NAAA (0.56) KMT2ALMNANAAAEPHX1SMN1; SMN2
SCHEMBL14327357 0.80 NAAA (0.43) KMT2ALMNANAAAEPHX1GNAI3
SCHEMBL16727379 0.80 NAAA (0.43) KMT2ALMNANAAAEPHX1GNAI3
SCHEMBL61529 0.79 NAAA (0.59) KMT2ALMNANAAAEPHX1SMN1; SMN2
SCHEMBL21860340 0.78 HSD11B1 (0.51) KMT2ALMNATLR2NAAAHSD17B10
SCHEMBL3402321 0.78 MAPT (0.52) KMT2ALMNATLR2HSD17B10
SCHEMBL19522182 0.78 HSD11B1 (0.51) KMT2ALMNATLR2NAAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129807-A1 METHODS OF TREATMENT, IMPROVEMENT AND PREVENTION USING HALOARYL SUBSTITUTED AMINOPURINES SIGNAL PHARMACEUTICALS, LLC 2012-05-24 US disclosed
EP-2289893-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2011-03-02 EP disclosed
EP-2112151-A2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2009-10-28 EP disclosed
EP-1838710-B1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2009-07-01 EP disclosed
US-7521446-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2009-04-21 US disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 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-20120129807-A1 METHODS OF TREATMENT, IMPROVEMENT AND PREVENTION USING HALOARYL SUBSTITUTED AMINOPURINES TPMT, MGMT, UNG KMT2A 1787/4885LMNA 1639/4885TLR2 1667/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 KMT2A 2476/4885LMNA 843/4885TLR2 2026/4885

“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.