SCHEMBL2137889

SCHEMBL2137889

NC(=NO)c1cccc(Br)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKT1 P31749 1/20 0.34
CTSL P07711 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM1A O60341 1/20 0.32
PDK2 Q15119 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
CTSB P07858 1/20 0.30

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
SCHEMBL3421084 1.00 LMNA (0.38) LMNAGAAL3MBTL1AKT1CTSL
SCHEMBL27968402 0.79 PARP1 (0.43) LMNAGAASMN1; SMN2PDK2ALDH1A1
SCHEMBL31156314 0.79 PARP1 (0.43) LMNAGAASMN1; SMN2PDK2ALDH1A1
SCHEMBL14837969 0.77 CTSL (0.43) LMNAGAAL3MBTL1AKT1CTSL
SCHEMBL6473649 0.75 GAA (0.50) LMNAGAAL3MBTL1AKT1CTSL
SCHEMBL16511729 0.75 GAA (0.50) LMNAGAAL3MBTL1AKT1CTSL
SCHEMBL16961701 0.74 SMN1; SMN2 (0.36) LMNAGAASMN1; SMN2PDK2HCAR1
SCHEMBL3418130 0.73 GAA (0.41) LMNAGAAL3MBTL1AKT1CTSL
SCHEMBL30070392 0.73 TAS2R14 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL3418224 0.73 GAA (0.41) LMNAGAAL3MBTL1AKT1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 LMNA 2907/4885GAA 2575/4885L3MBTL1 4201/4885

“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.