SCHEMBL4739165

SCHEMBL4739165

CC(C)c1ccc(C(=O)ON2C(=O)CCC2=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
MGLL Q99685 2/20 0.38
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCAR3 P49019 5/20 0.33
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR3 Q99500 1/20 0.32
PANK3 Q9H999 1/20 0.32
SPR P35270 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL4758814 0.81 HDAC1 (0.45) MAPK1KDM4EL3MBTL1POLBNPC1
SCHEMBL12488583 0.79 MAPK1 (0.67) MAPK1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL27076571 0.78 MAPK1 (0.38) MAPK1MGLLKDM4EL3MBTL1NPC1
SCHEMBL16938414 0.78 GABRP (0.49) MAPK1MGLLKDM4EL3MBTL1NPC1
SCHEMBL12727641 0.78 POLB (0.49) MGLLL3MBTL1POLBNPC1RAB9A
SCHEMBL1509187 0.77 MAPK1 (0.41) MAPK1MGLLKDM4EL3MBTL1HCAR3
SCHEMBL300884 0.77 CA12 (0.42) MAPK1MGLLKDM4ERAB9AKMT2A
SCHEMBL30914672 0.76 MAPK1 (0.40) MAPK1MGLLKDM4EL3MBTL1HCAR3
SCHEMBL1445644 0.76 MAPK1 (0.40) MAPK1MGLLKDM4EL3MBTL1HCAR3
Hydrochloric Acid SCHEMBL5087052 0.76 MAPK1 (0.40) MAPK1MGLLKDM4EL3MBTL1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771646-B2 Nicotinic acid and picolinic acid derived near-infrared fluorophores VISEN MEDICAL, INC. (US) 2014-07-08 US disclosed
US-20130272967-A1 Nicotinic Acid and Picolinic Acid Derived Near-Infrared Fluorophores VISEN MEDICAL, INC. 2013-10-17 US disclosed
US-8455651-B2 Nicotinic acid and picolinic acid derived near-infrared fluorophores VISEN MEDICAL, INC. (US) 2013-06-04 US disclosed
US-8173819-B2 Nicotinic and picolinic acid derived near-infrared fluorophores VISEN MEDICAL, INC. (US) 2012-05-08 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 (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-20130272967-A1 Nicotinic Acid and Picolinic Acid Derived Near-Infrared Fluorophores NAPRT, NAMPT, HCAR2 MAPK1 2187/4885MGLL 4568/4885KDM4E 4807/4885

“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.