SCHEMBL3879856

SCHEMBL3879856

O=C(Nc1ccc(Br)cn1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DYRK3 O43781 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
STK17A Q9UEE5 1/20 0.47
KDR P35968 4/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL12346308 0.87 MEN1 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14700065 0.85 MEN1 (0.65) TEKRAB9ANPC1MEN1KMT2A
SCHEMBL2239069 0.85 MEN1 (0.48) TEKRAB9ANPC1MEN1KMT2A
SCHEMBL2237927 0.84 MEN1 (0.71) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL420728 0.82 MEN1 (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL60100 0.81 LMNA (0.58) RAB9ANPC1MEN1KMT2ACA12
SCHEMBL3183924 0.79 KMT2A (0.74) TEKRAB9ANPC1MEN1KMT2A
SCHEMBL58970 0.78 KDR (0.60) TEKRAB9ANPC1MEN1KMT2A
SCHEMBL4717243 0.77 CA12 (0.49) TEKMEN1KMT2ACA12CA1
SCHEMBL25226228 0.75 CYP1A2 (0.58) RAB9ANPC1MEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
CN-101098868-A Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA SA (FR) 2008-01-02 CN disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 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-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use IDO1, RB1, IDO2 TEK 2638/4885RAB9A 445/4885NPC1 3024/4885

“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.