SCHEMBL4175341

SCHEMBL4175341

CCCS(=O)(=O)c1cc(Br)[c]c(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.33
CYP2C19 P33261 4/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 2/20 0.33
PNMT P11086 1/20 0.33
CYP3A4 P08684 4/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
THRB P10828 3/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PSIP1 O75475 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL10634307 0.80 LMNA (0.40) CYP2C9CYP2C19CYP1A2LMNAPNMT
SCHEMBL310175 0.72 ALDH1A1 (0.33) CYP2C9CYP2C19CYP1A2LMNAPNMT
SCHEMBL10637840 0.71 KDM4E (0.44) CYP2C9CYP2C19CYP1A2LMNAPNMT
SCHEMBL3510826 0.71 SOD1 (0.44) CYP2C9CYP2C19CYP1A2LMNAPNMT
SCHEMBL198253 0.71 PLCG1 (0.61) CYP2C9CYP2C19CYP1A2CYP3A4ALDH1A1
SCHEMBL10839863 0.71 HTR6 (0.38) CYP2C9LMNACYP3A4ALDH1A1GAA
SCHEMBL310459 0.69 LMNA (0.43) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL263686 0.69 ATM (0.46) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL31490469 0.68 SMN1; SMN2 (0.41) LOXL2MAPTPOLB
SCHEMBL1369588 0.68 ALDH1A1 (0.46) CYP2C9CYP2C19CYP1A2LMNAPNMT

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-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP 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-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 CYP2C9 29/4885CYP2C19 69/4885CYP1A2 4/4885

“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.