SCHEMBL3930146

SCHEMBL3930146

N#CC(=O)c1cccc(Cl)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.43
CYP11B1 P15538 2/20 0.43
TSHR P16473 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CYP11B2 P19099 1/20 0.39
P2RX7 Q99572 2/20 0.39
BCHE P06276 1/20 0.38
NOTUM Q6P988 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL3932483 0.81 CES2 (0.61) KAT6ACYP11B1CES2CES1ALDH1A1
SCHEMBL3273583 0.81 TSHR (0.59) TSHRCES2CES1ALDH1A1KDM4E
SCHEMBL4000363 0.80 CES2 (0.58) TSHRCES2CES1ALDH1A1KDM4E
SCHEMBL30440405 0.77 MAPT (0.48) KAT6ACYP11B1TSHRCES2CES1
SCHEMBL16253911 0.77 MAPT (0.48) KAT6ACYP11B1TSHRCES2CES1
Methyl Alcohol SCHEMBL28939417 0.77 CES2 (0.54) CES2CES1ALDH1A1KDM4ENPSR1
SCHEMBL401838 0.76 TSHR (0.63) KAT6ATSHRCES2CES1ALDH1A1
SCHEMBL9693738 0.76 KAT6A (0.47) KAT6ACYP11B1TSHRCES2CES1
SCHEMBL413285 0.76 ALDH1A1 (0.54) KAT6ACYP11B1TSHRCES2CES1
SCHEMBL30462062 0.76 TSHR (0.63) KAT6ATSHRCES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043656-B1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIV GREENWICH (GB) 2014-02-12 EP disclosed
US-20130005732-A1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIVERSITY OF GREENWICH (GB) 2013-01-03 US disclosed
US-8268823-B2 Medical use of triazine derivatives UNIVERSITY OF GREENWICH (GB) 2012-09-18 US disclosed
US-20090291954-A1 Medical Use of Triazine Derivatives UNIVERSITY OF GREENWICH (GB) 2009-11-26 US disclosed
CN-101516377-A Novel medical use of triazine derivatives UNIV GREENWICH (GB) 2009-08-26 CN disclosed
EP-2043656-A2 NEW MEDICAL USE OF TRIAZINE DERIVATIVES University of Greenwich (GB) 2009-04-08 EP disclosed
WO-2008007149-A2 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIVERSITY OF GREENWICH (GB) 2008-01-17 WO 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-20090291954-A1 Medical Use of Triazine Derivatives KCNH1, KCNJ1, KCNN1 KAT6A 3145/4885CYP11B1 200/4885TSHR 1045/4885
US-20130005732-A1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES KCNJ1, KCNH1, KCNJ11 KAT6A 3698/4885CYP11B1 289/4885TSHR 1008/4885

“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.