SCHEMBL1610595

SCHEMBL1610595

Nc1ccc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
SLC6A4 P31645 1/20 0.34
BACE1 P56817 5/20 0.33
CTSC P53634 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.32
CCR2 P41597 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1609805 0.90 ALDH1A1 (0.35) TSHRMAPK1ALDH1A1CYP3A4F10
SCHEMBL1610992 0.88 KDM1A (0.34) KDM1ASLC6A4BACE1CA1CA2
SCHEMBL1610621 0.87 KDM1A (0.36) KDM1ASLC6A4BACE1TSHRMAPK1
SCHEMBL1611211 0.85 KDM1A (0.40) KDM1ASLC6A4BACE1CTSCTSHR
SCHEMBL1609340 0.83 CYP3A4 (0.36) TSHRMAPK1ALDH1A1CYP3A4F10
SCHEMBL1609341 0.82 NPY5R (0.40) KDM1ASLC6A4BACE1TSHRMAPK1
SCHEMBL27791817 0.81 SLC6A4 (0.41) KDM1ASLC6A4BACE1F2F10
SCHEMBL3110578 0.81 NLRP3 (0.39) KDM1ASLC6A4CYP3A4CCR2NPC1
SCHEMBL1611568 0.80 KDM1A (0.34) KDM1ASLC6A4BACE1F2F10
SCHEMBL20508225 0.79 GPR52 (0.40) KDM1ACTSCCCR2F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069338-B1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2012-11-28 EP disclosed
CN-102731403-A Insecticidal isoxazolines BAYER CROPSCIENCE AG 2012-10-17 CN disclosed
CN-101522672-B Insecticidal isoxazolines BAYER CROPSCIENCE AG 2012-07-18 CN disclosed
US-20110086886-A2 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2011-04-14 US disclosed
US-20100249191-A1 N-Methyl benzamide derivatives BAYER CROPSCIENCE SA (FR) 2010-09-30 US disclosed
CN-101522672-A Insecticidal isoxazolines BAYER CROPSCIENCE AG (DE) 2009-09-02 CN 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-20110086886-A2 INSECTICIDAL ISOXAZOLINES HAX1, INA, CYCS KDM1A 699/4885SLC6A4 3113/4885BACE1 2820/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA KDM1A 133/4885SLC6A4 2842/4885BACE1 4066/4885

“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.