SCHEMBL7055271

SCHEMBL7055271

CC(=O)Nc1ccc(C=O)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PABPC1 P11940 1/20 0.50
ENPP2 Q13822 1/20 0.50
GLA P06280 1/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
TNNC1 P63316 1/20 0.49
RUNX1 Q01196 1/20 0.49
CBFB Q13951 1/20 0.49
HDAC1 Q13547 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LDHA P00338 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL2559372 0.83 SMN1; SMN2 (0.47) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL377917 0.81 ALDH1A1 (0.54) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL29958034 0.81 ALDH1A1 (0.54) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL10061909 0.81 ALDH1A1 (0.50) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL974694 0.81 PKM (0.51) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL1527112 0.81 PKM (0.56) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL4094352 0.81 KDM4E (0.51) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL29953794 0.81 ALDH1A1 (0.50) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL863069 0.80 RAB9A (0.58) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL30368269 0.80 RAB9A (0.58) MEN1KMT2AMAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010167-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. 2019-01-10 US disclosed
EP-3394064-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, Inc. (US) 2018-10-31 EP disclosed
WO-2017112768-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2017-06-29 WO disclosed
WO-2017112768-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2017-06-29 WO disclosed
EP-1725548-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS VERTEX PHARMA (US) 2015-01-14 EP disclosed
US-6624153-B2 Derivatives of two synthetic anti-tuberculosis agents, thioacetazone and p-aminosalicylic acid, have been synthesized. In general, the halogenated compound has the structure of Structure I:for use as anti-tuberculosis UNIVERSITY OF SCIENCES IN PHILADELPHIA 2003-09-23 US disclosed
US-20030114531-A1 Halogenated antituberculosis agents KOBARFARD FARZAD (US) 2003-06-19 US disclosed
WO-2002092019-A2 HALOGENATED ANTITUBERCULOSIS AGENTS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2002-11-21 WO disclosed
US-20020173548-A1 HALOGENATED ANTITUBERCULOSIS AGENTS SCIENCES IN PHILADELPHIA, UNIVERSITY OF 2002-11-21 US disclosed
US-6482982-B1 BACTERICIDES; MYCOBACTERIUM RESISTANCE UNIVERSITY OF SCIENCES OF PHILADELPHIA 2002-11-19 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 (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-20030114531-A1 Halogenated antituberculosis agents XDH, TST, QSOX1 MEN1 4691/4885KMT2A 2746/4885MAPT 3673/4885
US-20020173548-A1 HALOGENATED ANTITUBERCULOSIS AGENTS XDH, TST, QSOX1 MEN1 4691/4885KMT2A 2746/4885MAPT 3673/4885
US-20190010167-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 MEN1 2/4885KMT2A 12/4885MAPT 1447/4885

“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.