SCHEMBL12860201

SCHEMBL12860201

N#C/N=C(/NCCF)NC1CCCc2c(Cl)cccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.43
TAS1R1 Q7RTX1 7/20 0.43
TAS1R2 Q8TE23 6/20 0.43
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
DHODH Q02127 4/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.32
HTR2C P28335 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
SCHEMBL1150861 1.00 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2POLBALDH1A1
SCHEMBL12860287 1.00 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2POLBALDH1A1
SCHEMBL12860251 0.94 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2HTR2C
SCHEMBL12860189 0.94 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2HTR2C
SCHEMBL1151040 0.94 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2HTR2C
SCHEMBL12860302 0.88 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL1151156 0.88 USP2 (0.39) TAS1R3TAS1R1TAS1R2POLBHTT
SCHEMBL1151015 0.88 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL12860170 0.88 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL12860276 0.88 USP2 (0.39) TAS1R3TAS1R1TAS1R2POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 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-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES PDE3A, PDE2A, PDE3B TAS1R3 3072/4885TAS1R1 3294/4885TAS1R2 3652/4885

“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.