SCHEMBL15739752

SCHEMBL15739752

CCCCOC(=O)c1ccc(NC2CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.56
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
ESR1 P03372 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PDE4D Q08499 1/20 0.49
HPGD P15428 2/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 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
SCHEMBL1542815 0.87 HCAR3 (0.61) HCAR3ESR1MAPT
SCHEMBL30096977 0.83 LMNA (0.56) HCAR3PKML3MBTL1LMNACYP1A2
SCHEMBL30692295 0.82 LMNA (0.58) HCAR3PKML3MBTL1LMNAESR1
SCHEMBL7470168 0.79 HCAR3 (0.51) HCAR3MAPT
SCHEMBL17307582 0.77 HCAR3 (0.59) HCAR3LMNATSHRSMN1; SMN2HPGD
SCHEMBL7744434 0.76 L3MBTL1 (0.64) L3MBTL1LMNACYP1A2TSHRCYP2C19
SCHEMBL5127673 0.76 L3MBTL1 (0.60) L3MBTL1LMNACYP1A2TSHRCYP2C19
SCHEMBL1461974 0.76 L3MBTL1 (0.60) L3MBTL1LMNACYP1A2TSHRCYP2C19
SCHEMBL6100318 0.75 RAB9A (0.65) HCAR3PKML3MBTL1LMNACYP1A2
SCHEMBL19600929 0.75 L3MBTL1 (0.58) L3MBTL1LMNACYP1A2TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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 (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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 HCAR3 3579/4885PKM 111/4885L3MBTL1 3708/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 HCAR3 3579/4885PKM 111/4885L3MBTL1 3708/4885

“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.