SCHEMBL40666

SCHEMBL40666

O=C1NCCN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.51
ALDH1A1 P00352 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX5 P09917 2/20 0.37
ELANE P08246 1/20 0.36
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL13737111 0.83 ALDH1A1 (0.56) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL23069177 0.82 CYP11B1 (0.41) ADRB1ALDH1A1HTR3EHTR3BHTR1D
SCHEMBL131564 0.82 NOX4 (0.45) CMA1
SCHEMBL28817805 0.78 ADRB1 (0.56) ADRB1ALDH1A1HTR3EHTR3BHTR1D
SCHEMBL30847592 0.73 CMA1 (0.34) ADRB1MAPTMEN1KMT2ACYP3A4
SCHEMBL21858471 0.72 ADRB1 (0.60) ADRB1ALDH1A1MAPTCYP2D6
SCHEMBL2729891 0.71 ADRB1 (0.43) ADRB1ALDH1A1HTR3EHTR3BHTR1D
SCHEMBL9731689 0.71 LMNA (0.46) ADRB1ALDH1A1ALOX5MEN1KMT2A
SCHEMBL27886229 0.71 DDB1 (0.47) ADRB1ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL6273817 0.70 CMA1 (0.37) ELANECMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582688-B1 ANTHRANILIC ACID DIAMIDE DERIVATIVES BAYER IP GMBH (DE) 2015-10-07 EP disclosed
US-8791139-B2 Anthranilic diamide derivatives BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 EP disclosed
EP-2582688-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20120015980-A1 ANTHRANILIC DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-19 US disclosed
WO-2011157654-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-22 WO disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 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 (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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L ADRB1 2484/4885ALDH1A1 270/4885HTR3E 1768/4885
US-20120015980-A1 ANTHRANILIC DIAMIDE DERIVATIVES DDT, QDPR, ANTXR2 ADRB1 1529/4885ALDH1A1 732/4885HTR3E 4866/4885

“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.