SCHEMBL481228

SCHEMBL481228

N=C(Cc1cccc(I)c1)NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
IDO1 P14902 2/20 0.43
MAPK8 P45983 1/20 0.40
SIGMAR1 Q99720 5/20 0.39
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
FAAH O00519 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1067715 0.79 CYP3A4 (0.48) CYP1A2LMNAPMP22KMT2AHDAC6
SCHEMBL836969 0.78 HTR3E (0.62) IDO1SMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL1580473 0.78 TAAR1 (0.49) IDO1MAPK8HDAC8HDAC6
SCHEMBL838275 0.78 TAAR1 (0.44) RAB9AIDO1MAPK8MEN1KMT2A
SCHEMBL480288 0.76 CYP3A4 (0.35) CYP1A2CYP2D6IDO1SIGMAR1PMP22
SCHEMBL434982 0.76 HDAC8 (0.56) IDO1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL10396581 0.74 MEN1 (0.52) IDO1SIGMAR1LMNAMEN1KMT2A
SCHEMBL28503212 0.74 MEP1B (0.55)
SCHEMBL4685156 0.73 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL23588035 0.73 XIAP (0.45) CYP1A2CYP2D6CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955470-B Potentiators of glutamate receptors LILLY CO ELI 2012-06-13 CN disclosed
EP-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
EP-1817301-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2012-02-01 EP disclosed
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 CN disclosed
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 CN disclosed
US-7803938-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-20090318483-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-7598423-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20080139505-A1 Potentiators Of Glutamate Receptors ARRAY BIOPHARMA, INC. 2008-06-12 US disclosed
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 CN 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 (3 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-20080139505-A1 Potentiators Of Glutamate Receptors GRM1, GRIN1, GRM2 CYP1A2 1022/4885CYP2D6 810/4885CYP2C19 693/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 CYP1A2 1836/4885CYP2D6 1973/4885CYP2C19 1042/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 CYP1A2 1836/4885CYP2D6 1973/4885CYP2C19 1042/4885

“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.