SCHEMBL12812945

SCHEMBL12812945

Cc1ccc(-n2cnc(C(F)(F)C(F)(F)F)n2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.38
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TNF P01375 1/20 0.33
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.31
FSCN1 Q16658 1/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
OPRM1 P35372 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1495147 0.89 HCAR1 (0.36) HCAR1KDM4ENPSR1TNFRAB9A
SCHEMBL1233768 0.88 HCAR1 (0.40) HCAR1KDM4ENPSR1TNFRAB9A
SCHEMBL29558810 0.88 HCAR1 (0.40) HCAR1KDM4ENPSR1TNFRAB9A
SCHEMBL12812941 0.84 HCAR1 (0.37) HCAR1KDM4ENPSR1TNFRAB9A
SCHEMBL27834793 0.81 HCAR1 (0.38) HCAR1KDM4ENPSR1ALDH1A1FSCN1
SCHEMBL12880381 0.77
SCHEMBL2922803 0.75 FFAR4 (0.33) HCAR1
SCHEMBL2913915 0.73 POLB (0.38) HCAR1RAB9AALDH1A1FSCN1HTT
SCHEMBL12812937 0.73
SCHEMBL1200187 0.73 KDM4E (0.37) HCAR1KDM4ENPSR1TNFRAB9A

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-2467021-B1 3-[1-(3-HALOALKYL)-TRIAZOLYL]-PHENYL-SULPHIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER IP GMBH (DE) 2015-10-28 EP disclosed
US-8632767-B2 3-[1-(3-haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-21 US disclosed
US-8632767-B2 3-[1-(3-haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-21 US disclosed
WO-2011029506-A1 3-[1-(3-HALOALKYL)-TRIAZOLYL]-PHENYL-SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-03-17 WO disclosed
US-20110045104-A1 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 US disclosed
US-20110045104-A1 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 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-20110045104-A1 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides ATL3, PDIA3, NAT1 HCAR1 3197/4885KDM4E 4319/4885NPSR1 1097/4885

“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.