SCHEMBL2161264

SCHEMBL2161264

CSCc1ccc(-c2nc(C(F)(F)C(F)(F)F)nn2Cc2cccc(N)c2C)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
KCNH2 Q12809 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1833879 0.85 SIGMAR1 (0.36) ESR1KCNH2SMN1; SMN2ALDH1A1LMNA
SCHEMBL1832926 0.85 NR1H3 (0.40) ESR1KCNH2SMN1; SMN2ALDH1A1LMNA
SCHEMBL1835592 0.80 MEN1 (0.34) ESR1KCNH2ALDH1A1LMNAPOLB
SCHEMBL1854580 0.74 AVPR2 (0.34) ESR1KCNH2ALDH1A1POLB
SCHEMBL2161767 0.71 CYP1A2 (0.39) NPC1CYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL12402747 0.70 ESR1 (0.37) ESR1KCNH2CYP1A2CYP3A4CYP2C19
SCHEMBL2161395 0.70 KDM4E (0.35) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1834507 0.69 ESR1 (0.36) ESR1KCNH2CYP1A2CYP3A4CYP2C19
SCHEMBL1834307 0.69 SMN1; SMN2 (0.44) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1831398 0.68 ESR1 (0.35) ESR1KCNH2CYP3A4L3MBTL1

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 1 patent. 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

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 ESR1 3395/4885KCNH2 84/4885NPC1 2992/4885

“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.