SCHEMBL5071986

SCHEMBL5071986

Cc1ccccc1NC(=O)Nc1ccc(Br)c(F)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.71
NPC1 O15118 9/20 0.71
KMT2A Q03164 6/20 0.71
MAPT P10636 5/20 0.71
MEN1 O00255 5/20 0.71
NFKB1 P19838 1/20 0.71
NFKB2 Q00653 1/20 0.71
RELA Q04206 1/20 0.71
DDX3X O00571 3/20 0.64
HTT P42858 5/20 0.57
ALDH1A1 P00352 1/20 0.53
IMPDH2 P12268 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
STING1 Q86WV6 1/20 0.51
KCNJ6 P48051 1/20 0.50
KCNJ5 P48544 1/20 0.50
KCNJ3 P48549 1/20 0.50
POLB P06746 2/20 0.49

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
SCHEMBL4346828 0.84 DDX3X (0.66) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL4354644 0.81 DDX3X (0.65) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL17084259 0.79 RAB9A (0.67) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL11918074 0.79 DDX3X (1.00) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1659299 0.79 DDX3X (1.00) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL4350926 0.78 DDX3X (0.65) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL3460675 0.78 DDX3X (0.69) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL17079603 0.78 DDX3X (0.79) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1275926 0.76 RAB9A (0.75) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL17453763 0.76 ALDH1A1 (0.58) ALDH1A1

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-7410984-B2 Compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-12 US disclosed
US-20050288337-A1 Novel compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-29 US disclosed
EP-1539696-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2005-06-15 EP disclosed
WO-2004014859-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2004-02-19 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-20050288337-A1 Novel compounds ITGB4, ITGA4, ITGB5 RAB9A 967/4885NPC1 3673/4885KMT2A 3887/4885

“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.