SCHEMBL1816461

SCHEMBL1816461

CCOC(=O)CN(Cc1ccc(Br)cn1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 2/20 0.41
S1PR4 O95977 1/20 0.41
LMNA P02545 1/20 0.41
S1PR1 P21453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
RAB9A P51151 1/20 0.34
F2 P00734 1/20 0.34
KLK1 P06870 1/20 0.34
PRSS1 P07477 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL1818533 0.81 ALDH1A1 (0.40) KMT2AMAPTLMNAGBA1RAB9A
SCHEMBL12764804 0.77 KMT2A (0.48) KMT2AMAPTMEN1MAPK1S1PR4
SCHEMBL1814852 0.75 GBA1 (0.47) KMT2AMAPTMEN1MAPK1S1PR4
SCHEMBL16278189 0.74 CYP4F2 (0.46) KMT2AMAPTMEN1MAPK1S1PR4
SCHEMBL5250071 0.71 CYP4F2 (0.48) KMT2AMAPTMEN1MAPK1S1PR4
SCHEMBL1814849 0.71 MAPT (0.51) KMT2AMAPTMEN1MAPK1S1PR4
SCHEMBL16838930 0.69 MAPT (0.49) KMT2AMAPTMEN1MAPK1S1PR4
SCHEMBL5160274 0.68 ALOX15 (0.45) KMT2AMAPTMEN1MAPK1S1PR4
SCHEMBL1253818 0.68 HSD17B10 (0.45) KMT2AMAPTMEN1MAPK1S1PR4
SCHEMBL14544545 0.68 TRPM8 (0.54) KMT2AMAPTMEN1LMNASMN1; SMN2

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-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
EP-2496569-A2 HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-09-12 EP disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 WO disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 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 (1 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-20120220622-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIN3A, GRIN2D KMT2A 1520/4885MAPT 1276/4885MEN1 4000/4885

“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.