SCHEMBL2829306

SCHEMBL2829306

COc1ccc(/C=N\NC(=O)c2cccc(F)c2)cc1Br

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
CTDSP1 Q9GZU7 2/20 0.67
POLB P06746 2/20 0.67
MEN1 O00255 4/20 0.59
MAPT P10636 6/20 0.59
HPGD P15428 1/20 0.59
GAA P10253 3/20 0.57
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GFER P55789 1/20 0.54
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL13475423 1.00 KMT2A (0.67) KMT2ANPC1RAB9ASMN1; SMN2CTDSP1
SCHEMBL2829307 1.00 KMT2A (0.67) KMT2ANPC1RAB9ASMN1; SMN2CTDSP1
SCHEMBL265193 0.88 NPC1 (0.59) KMT2ANPC1RAB9ASMN1; SMN2CTDSP1
SCHEMBL265194 0.88 NPC1 (0.59) KMT2ANPC1RAB9ASMN1; SMN2CTDSP1
SCHEMBL12218076 0.82 MAPT (0.73) KMT2ANPC1RAB9ASMN1; SMN2CTDSP1
SCHEMBL11974395 0.82 HDAC3 (0.54) KMT2ANPC1RAB9ASMN1; SMN2CTDSP1
SCHEMBL21916924 0.81 MAPT (0.61) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL267106 0.80 KMT2A (0.65) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL267105 0.80 KMT2A (0.65) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL21145752 0.80 CYP1A2 (0.56) KMT2ANPC1RAB9ASMN1; SMN2CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029773-A1 Systematic identification of new anti-prion drugs by high-throughput screening based on scanning for intensely fluorescent targets (sift) LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2010-02-04 US claimed
EP-1751553-B1 IDENTIFICATION OF ANTI-PRION DRUGS BY HIGH-THROUGHPUT SCREENING BASED ON SIFT UNIV MUENCHEN L MAXIMILIANS (DE) 2008-10-08 EP claimed
EP-1751553-A2 IDENTIFICATION OF ANTI-PRION DRUGS BY HIGH-THROUGHPUT SCREENING BASED ON SIFT Ludwig-Maximilians-Universität München (DE) 2007-02-14 EP claimed
WO-2005116640-A2 IDENTIFICATION OF ANTI-PRION DRUGS BY HIGH-THROUGHPUT SCREENING BASED ON SIFT LUDWIG-MAXIMILIANS- UNIVERSITÄT MÜNCHEN (DE) 2005-12-08 WO claimed
US-20100029773-A1 Systematic identification of new anti-prion drugs by high-throughput screening based on scanning for intensely fluorescent targets (sift) LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2010-02-04 US disclosed
EP-1751553-B1 IDENTIFICATION OF ANTI-PRION DRUGS BY HIGH-THROUGHPUT SCREENING BASED ON SIFT UNIV MUENCHEN L MAXIMILIANS (DE) 2008-10-08 EP disclosed
EP-1751553-A2 IDENTIFICATION OF ANTI-PRION DRUGS BY HIGH-THROUGHPUT SCREENING BASED ON SIFT Ludwig-Maximilians-Universität München (DE) 2007-02-14 EP disclosed
WO-2005116640-A2 IDENTIFICATION OF ANTI-PRION DRUGS BY HIGH-THROUGHPUT SCREENING BASED ON SIFT LUDWIG-MAXIMILIANS- UNIVERSITÄT MÜNCHEN (DE) 2005-12-08 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-20100029773-A1 Systematic identification of new anti-prion drugs by high-throughput screening based on scanning for intensely fluorescent targets (sift) PRNP, MAPT, HTT KMT2A 2872/4885NPC1 337/4885RAB9A 1456/4885

“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.