SCHEMBL1863548

SCHEMBL1863548

COc1ccc(NC(=O)c2cncc(Br)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
MAPT P10636 5/20 0.59
MAPK1 P28482 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HTT P42858 4/20 0.59
ALOX12 P18054 2/20 0.59
ROCK2 O75116 1/20 0.59
GAA P10253 1/20 0.59
ROCK1 Q13464 1/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
TSHR P16473 1/20 0.58
LMNA P02545 1/20 0.57
KDR P35968 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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
SCHEMBL3216340 0.81 KMT2A (0.67) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL3211310 0.81 KMT2A (0.69) SMN1; SMN2MEN1KMT2AALDH1A1ROCK2
SCHEMBL3222610 0.81 MEN1 (0.62) SMN1; SMN2MEN1KMT2AMAPTROCK2
SCHEMBL14339876 0.79 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2AMAPTMAPK1
SCHEMBL5650231 0.78 RAB9A (0.76) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL14992382 0.78 HTT (0.73) SMN1; SMN2MEN1KMT2AMAPTMAPK1
SCHEMBL14059130 0.78 PIK3CA (0.56) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL3203230 0.77 KMT2A (0.64) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL13947158 0.77 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL14880166 0.77 SMN1; SMN2 (0.73) SMN1; SMN2MEN1KMT2AMAPTMAPK1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20080214635-A1 Modulation of pathogenicity QUONOVA, LLC 2008-09-04 US disclosed
US-20080182878-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-31 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US disclosed
EP-1478364-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2004-11-24 EP disclosed
US-20040063765-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-04-01 US disclosed
WO-2003039549-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2003-05-15 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 (7 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-20090076012-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2316/4885MEN1 2784/4885KMT2A 3562/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2336/4885MEN1 2784/4885KMT2A 3588/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2336/4885MEN1 2784/4885KMT2A 3588/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2336/4885MEN1 2784/4885KMT2A 3588/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 SMN1; SMN2 2331/4885MEN1 2774/4885KMT2A 3589/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2207/4885MEN1 2609/4885KMT2A 3597/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 SMN1; SMN2 2492/4885MEN1 3523/4885KMT2A 3617/4885

“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.