SCHEMBL15358317

SCHEMBL15358317

O=C(O)c1cnc(NCCc2ccc(Cl)cc2Cl)nc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.46
TYRO3 Q06418 1/20 0.46
GPR84 Q9NQS5 1/20 0.44
PTGDR Q13258 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HPGD P15428 1/20 0.44
STAT6 P42226 3/20 0.43
AKT3 Q9Y243 2/20 0.43
CNR1 P21554 1/20 0.43
KMT2A Q03164 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
COPS5 Q92905 1/20 0.41
NR4A2 P43354 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41

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
SCHEMBL16841639 0.88 HPGD (0.45) IGF1RTYRO3PTGDRHPGDAKT3
SCHEMBL15358312 0.86 HDAC3 (0.58) TYRO3GPR84STAT6HDAC3HDAC1
SCHEMBL15358316 0.83 HDAC3 (0.56) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL15358313 0.82 HDAC3 (0.50) TYRO3HPGDSTAT6KMT2AHDAC3
SCHEMBL15358320 0.80 STAT6 (0.54) STAT6KMT2AHDAC3HDAC1HDAC2
SCHEMBL15358321 0.80 HDAC3 (0.57) TYRO3STAT6HDAC3HDAC1HDAC2
SCHEMBL11084759 0.76 STAT6 (0.58) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL11089737 0.76 VNN1 (0.55) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL4089718 0.76 CA1 (0.53) GPR84TAAR1HPGDCNR1KMT2A
SCHEMBL15358452 0.75 HDAC3 (0.57) STAT6HDAC3HDAC1HDAC2HDAC6

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
US-9890126-B2 Synthesis of novel inhibitors of isoprenoid biosynthesis (ISPF) BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2018-02-13 US disclosed
US-9890126-B2 Synthesis of novel inhibitors of isoprenoid biosynthesis (ISPF) BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2018-02-13 US disclosed
US-20160257655-A1 DESIGN AND SYNTHESIS OF NOVEL INHIBITORS OF ISOPRENOID BIOSYNTHESIS (ISPF) NORTHERN ILLINOIS RESEARCH FOUNDATION 2016-09-08 US disclosed
US-20160257655-A1 DESIGN AND SYNTHESIS OF NOVEL INHIBITORS OF ISOPRENOID BIOSYNTHESIS (ISPF) NORTHERN ILLINOIS RESEARCH FOUNDATION 2016-09-08 US disclosed
US-9309232-B2 Synthesis of novel inhibitors of isoprenoid biosynthesis BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2016-04-12 US disclosed
US-9309232-B2 Synthesis of novel inhibitors of isoprenoid biosynthesis BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2016-04-12 US disclosed
US-20150175582-A1 DESIGN AND SYNTHESIS OF NOVEL INHIBITORS OF ISOPRENOID BIOSYNTHESIS Board of Trustees of Nothern Illinois University (US) 2015-06-25 US disclosed
US-20150175582-A1 DESIGN AND SYNTHESIS OF NOVEL INHIBITORS OF ISOPRENOID BIOSYNTHESIS Board of Trustees of Nothern Illinois University (US) 2015-06-25 US disclosed
WO-2013163159-A2 DESIGN AND SYNTHESIS OF NOVEL INHIBITORS OF ISOPRENOID BIOSYNTHESIS BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-10-31 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 (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-20150175582-A1 DESIGN AND SYNTHESIS OF NOVEL INHIBITORS OF ISOPRENOID BIOSYNTHESIS COASY, GGPS1, FDPS IGF1R 2549/4885TYRO3 4729/4885GPR84 4372/4885
US-20160257655-A1 DESIGN AND SYNTHESIS OF NOVEL INHIBITORS OF ISOPRENOID BIOSYNTHESIS (ISPF) COASY, GGPS1, FDPS IGF1R 3074/4885TYRO3 4694/4885GPR84 4128/4885

“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.