SCHEMBL3812437

SCHEMBL3812437

O=C(Nc1cccc(O)c1)c1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
TDP1 Q9NUW8 1/20 0.67
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
LMNA P02545 2/20 0.64
F2R P25116 1/20 0.62
HTT P42858 2/20 0.58
ESRRG P62508 1/20 0.58
TP53 P04637 3/20 0.57
MAPT P10636 3/20 0.57
PTPRC P08575 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
CTSL P07711 1/20 0.57
PTPN1 P18031 1/20 0.57
CTSS P25774 1/20 0.57
PTPN13 Q12923 1/20 0.57

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
SCHEMBL6814593 0.90 KMT2A (0.63) MEN1KMT2ASMN1; SMN2TDP1NPC1
SCHEMBL6814599 0.84 MEN1 (0.55) MEN1KMT2ASMN1; SMN2TDP1NPC1
SCHEMBL3768399 0.83 RAB9A (0.63) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4372468 0.83 P2RX1 (0.71) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4363732 0.83 MEN1 (0.89) MEN1KMT2ASMN1; SMN2TDP1NPC1
SCHEMBL27645970 0.83 SMN1; SMN2 (0.68) MEN1KMT2ASMN1; SMN2TDP1NPC1
SCHEMBL27972423 0.83 MEN1 (0.70) MEN1KMT2ASMN1; SMN2TDP1NPC1
SCHEMBL15778871 0.83 FADS1 (0.70) MEN1KMT2ASMN1; SMN2TDP1NPC1
SCHEMBL7821066 0.82 LMNA (0.80) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1810665 0.81 MEN1 (0.81) MEN1KMT2ASMN1; SMN2TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386946-B1 Method for analyzing the sequence of a nucleic acid using 4,7-dichlororhodamine dyes APPLIED BIOSYSTEMS LLC (US) 2009-08-05 EP disclosed
US-7550570-B2 Labeling nucleotide sequences with rhodamine dye APPLIED BIOSYSTEMS, LLC. (US) 2009-06-23 US disclosed
US-20090093623-A1 4,7-DICHLORORHODAMINE DYES APPLIED BIOSYSTEMS INC. (US) 2009-04-09 US disclosed
CN-1917870-A Compounds and compositions as lxr modulators IRM LLC (BM) 2007-02-21 CN disclosed
US-20050112781-A1 4,7-dichlororhodamine dyes labeled polynucleotides APPLIED BIOSYSTEMS, LLC 2005-05-26 US disclosed
EP-1165694-B1 4,7-DICHLORORHODAMINE DYES USEFUL AS MOLECULAR PROBES APPLERA CORP (US) 2004-09-22 EP disclosed
US-6713622-B1 CONTACTING A 4,7-DICHLORORHODAMINE DYE COMPRISING A LINKING GROUP WITH A POLYNUCLEOTIDE COMPRISING A TERMINAL FUNCTIONALITY COMPLEMENTARY TO THE LINKING GROUP APPLERA CORPORATION 2004-03-30 US disclosed
EP-1386946-A1 4,7-dichlororhodamine dyes useful as molecular probes Applera Corporation (US) 2004-02-04 EP disclosed
US-6080852-A FLUORESCENT DYES WITH NARROWER EMISSION SPECTRA AND WHICH ARE SHIFTED TO THE RED; FOR USE IN DIDEOXYNUCLEOTIDE SEQUENCING THE PERKIN-ELMER CORPORATION (US) 2000-06-27 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 (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-20050112781-A1 4,7-dichlororhodamine dyes labeled polynucleotides POLL, FPR3, DRD4 MEN1 2667/4885KMT2A 2651/4885SMN1; SMN2 1932/4885
US-20090093623-A1 4,7-DICHLORORHODAMINE DYES POLL, FPR3, DRD4 MEN1 2574/4885KMT2A 2604/4885SMN1; SMN2 1832/4885

“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.