SCHEMBL1828348

SCHEMBL1828348

Cc1cc(Cn2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.46
XPO1 O14980 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP13 P45452 2/20 0.41
THRB P10828 1/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
BLM P54132 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL1828269 0.91 HDAC6 (0.57) HDAC6MAPTSMN1; SMN2THRBLMNA
SCHEMBL1830057 0.90 XPO1 (0.50) HDAC6XPO1SMN1; SMN2MMP13THRB
SCHEMBL1835920 0.79 SMN1; SMN2 (0.36) HDAC6XPO1SMN1; SMN2LMNARAB9A
SCHEMBL5905863 0.79 POLB (0.58) HDAC6MAPTSMN1; SMN2MAPK1KMT2A
SCHEMBL1834733 0.76 ALDH1A1 (0.39) MAPTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL1832898 0.74 KCNH2 (0.46) MAPTLMNAKMT2AL3MBTL1
SCHEMBL1833230 0.74 IKBKB (0.36) HDAC6MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL2161666 0.73 HSP90AA1 (0.34) KMT2A
SCHEMBL5906392 0.73 ROCK2 (0.43) L3MBTL1POLB
SCHEMBL1827020 0.72 PPARG (0.39) SMN1; SMN2LMNAKMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 HDAC6 648/4885XPO1 3614/4885MAPT 4079/4885

“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.