SCHEMBL4301694

SCHEMBL4301694

CCCCN(C(=O)c1ccccc1C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 1/20 0.51
JAK2 O60674 1/20 0.51
RAB9A P51151 1/20 0.51
PAX8 Q06710 1/20 0.51
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 2/20 0.51
ADRB2 P07550 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
S1PR1 P21453 1/20 0.51
TP53 P04637 3/20 0.50
TSHR P16473 2/20 0.49

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
SCHEMBL530129 0.91 TP53 (0.53) GAAMAPTLMNASMN1; SMN2NPSR1
SCHEMBL4065279 0.84 TP53 (0.69) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14141689 0.84 MAPT (0.52) GAAMAPTLMNASMN1; SMN2NPSR1
SCHEMBL9001628 0.81 ADRA2C (0.71) GAAMAPTLMNASMN1; SMN2NPSR1
SCHEMBL10456699 0.81 TP53 (0.62) GAAMAPTLMNAKMT2AS1PR1
SCHEMBL9051702 0.81 NPC1 (0.57) GAAMAPTLMNASMN1; SMN2NPSR1
SCHEMBL6570853 0.80 KMT2A (0.51) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL10330507 0.80 KMT2A (0.59) GAAMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL6570752 0.79 NPC1 (0.58) GAAMAPTLMNASMN1; SMN2NPSR1
SCHEMBL10964238 0.79 ALDH1A1 (0.66) GAAMAPTSMN1; SMN2NPC1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9717247-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2017-08-01 US disclosed
US-9339037-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2016-05-17 US disclosed
US-20140371066-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-12-18 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 (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-20140371066-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CAT GAA 266/4885MAPT 4442/4885LMNA 4260/4885
US-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 GAA 346/4885MAPT 4438/4885LMNA 4622/4885

“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.