SCHEMBL1835920

SCHEMBL1835920

Cc1cc(Cn2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2C(F)(F)F)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
NR1H3 Q13133 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL2161056 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL13335218 0.83 ADORA3 (0.39) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1832384 0.81 ADORA3 (0.38) NPC1CYP3A4RAB9APOLBADORA3
SCHEMBL1828348 0.79 HDAC6 (0.46) SMN1; SMN2NPC1RAB9APOLBLMNA
SCHEMBL1838818 0.78 ADORA3 (0.36) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1833654 0.78 ADORA3 (0.36) NPC1RAB9APOLBADORA3ADORA2A
SCHEMBL5905863 0.77 POLB (0.58) SMN1; SMN2POLBADORA3ADORA2AADORA2B
SCHEMBL1833230 0.76 IKBKB (0.36) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1834610 0.76 ADORA3 (0.35) POLBADORA3ADORA2AADORA2BADORA1
SCHEMBL1834223 0.76 PPARG (0.38) SMN1; SMN2CYP1A2CYP2C19PTGDR2LMNA

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 SMN1; SMN2 3421/4885NPC1 2992/4885CYP1A2 168/4885

“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.