SCHEMBL2161767

SCHEMBL2161767

Cc1c(N)cccc1Cn1nc(C(F)(F)C(F)(F)F)nc1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
CRHR1 P34998 6/20 0.37
RECQL P46063 1/20 0.36
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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 0.80 SIGMAR1 (0.36) SMN1; SMN2ALDH1A1POLBMAPTL3MBTL1
SCHEMBL1835592 0.79 MEN1 (0.34) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL1832926 0.78 NR1H3 (0.40) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL1854580 0.75 AVPR2 (0.34) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL1836112 0.75 LMNA (0.41) CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL1831366 0.73 FGFR4 (0.41) CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL1835230 0.72 KLKB1 (0.36) SMN1; SMN2POLBMEN1KMT2AMAPT
SCHEMBL1834507 0.71 ESR1 (0.36) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL2161395 0.71 KDM4E (0.35) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2161264 0.71 ESR1 (0.32) CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1

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 CYP1A2 168/4885CYP3A4 196/4885CYP2C19 340/4885

“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.