SCHEMBL4157774

SCHEMBL4157774

Nc1c(-c2c(F)cc(F)cc2F)cnc2ncnn12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.49
EGLN2 Q96KS0 11/20 0.35
MAPK1 P28482 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MBOAT4 Q96T53 1/20 0.32
CYP17A1 P05093 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7178512 0.74 ALDH1A1 (0.33) ALDH1A1POLBEGLN2
SCHEMBL14489594 0.74 MAPK1 (0.45) ALDH1A1POLBMAPK1KMT2AMBOAT4
SCHEMBL6530592 0.74 MBOAT4 (0.43) ALDH1A1POLBGAAEGLN2MAPK1
SCHEMBL3636753 0.73 ALDH1A1 (0.42) ALDH1A1POLBGAAEGLN2MAPK1
SCHEMBL3398384 0.72 TSHR (0.39) ALDH1A1GAAEGLN2MAPK1NPC1
SCHEMBL4675017 0.72 ABL1 (0.32) ALDH1A1MAPK1KDM4E
SCHEMBL5593173 0.70 ALDH1A1 (0.72) ALDH1A1POLBGAAEGLN2MAPK1
SCHEMBL1046816 0.66 MBOAT4 (0.35) ALDH1A1MAPK1MBOAT4KDM4E
SCHEMBL609328 0.66 ALDH1A1 (0.50) ALDH1A1POLBGAAMBOAT4
SCHEMBL5288530 0.66 ALDH1A1 (0.50) ALDH1A1POLBGAAMBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9339037-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2016-05-17 US disclosed
US-20090018015-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-15 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 (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-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 ALDH1A1 241/4885POLB 4382/4885GAA 346/4885

“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.