SCHEMBL4487089

SCHEMBL4487089

OB(O)c1ccc2nc(C(F)(F)F)cn2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.49
MGLL Q99685 2/20 0.40
MCHR1 Q99705 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RCE1 Q9Y256 1/20 0.37
HDAC4 P56524 1/20 0.33
TGFBR1 P36897 1/20 0.33
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32

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
SCHEMBL12056714 0.75 SCN5A (0.54) SCN5AMCHR1KDM4ENPC1ALDH1A1
SCHEMBL15068590 0.74 CA2 (0.43) MCHR1KDM4ENPC1ALDH1A1POLB
SCHEMBL516957 0.74 PIK3CG (0.55) SCN5AMCHR1KDM4ENPC1ALDH1A1
SCHEMBL8812209 0.74 SCN5A (0.53) SCN5AKDM4ENPC1ALDH1A1POLB
SCHEMBL18080888 0.74 SCN5A (0.53) SCN5AMCHR1KDM4ENPC1ALDH1A1
SCHEMBL2118968 0.74 SCN5A (0.53) SCN5AMCHR1KDM4ENPC1ALDH1A1
SCHEMBL26907587 0.74 PIK3CG (0.55) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL517211 0.73 SCN5A (0.49) SCN5AMCHR1ALDH1A1
SCHEMBL16739619 0.72 KDM4E (0.50) SCN5AMCHR1KDM4ENPC1ALDH1A1
SCHEMBL15829424 0.71 SCN5A (0.50) SCN5AMCHR1KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615639-B2 1-pyridyl-benzofuro[3,2-b]pyridin-2(1H)-ones TIBOTEC PHARMACEUTICALS, LTD. (IE) 2009-11-10 US disclosed
US-7615639-B2 1-pyridyl-benzofuro[3,2-b]pyridin-2(1H)-ones TIBOTEC PHARMACEUTICALS, LTD. (IE) 2009-11-10 US disclosed
US-7615639-B2 1-pyridyl-benzofuro[3,2-b]pyridin-2(1H)-ones TIBOTEC PHARMACEUTICALS, LTD. (IE) 2009-11-10 US disclosed
US-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-11-15 US disclosed
US-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-11-15 US disclosed
US-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-11-15 US disclosed
EP-1758911-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES Tibotec Pharmaceuticals Ltd. (IE) 2007-03-07 EP disclosed
WO-2005111047-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-11-24 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-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones CBR1, HRH4, CYP4B1 SCN5A 499/4885MGLL 2422/4885MCHR1 395/4885

“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.