SCHEMBL6727697

SCHEMBL6727697

NC(COc1ccccc1)C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.55
MAOA P21397 1/20 0.43
PTGS1 P23219 1/20 0.43
LMNA P02545 2/20 0.43
IDO1 P14902 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
METAP2 P50579 2/20 0.40
METAP1 P53582 1/20 0.40

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
SCHEMBL6727693 1.00 SCN4A (0.55) SCN4AMAOAPTGS1LMNAIDO1
SCHEMBL6727689 1.00 SCN4A (0.55) SCN4AMAOAPTGS1LMNAIDO1
SCHEMBL6167803 0.75 CYP2C9 (0.46) KDM4ECYP2D6TSHRMEN1KMT2A
SCHEMBL7809168 0.74 LMNA (0.50) LMNAKDM4ECYP2D6TSHRHIF1A
SCHEMBL6320412 0.73 TSHR (0.53) LMNAKDM4ETSHR
SCHEMBL14499008 0.72 SCN4A (0.65) SCN4AMAOAPTGS1LMNAKDM4E
SCHEMBL1838875 0.72 SCN4A (0.65) SCN4AMAOAPTGS1LMNAKDM4E
SCHEMBL1735295 0.72 EPHX1 (0.50) MAOAPTGS1CYP2D6
SCHEMBL1735316 0.72 EPHX1 (0.50) MAOAPTGS1CYP2D6
SCHEMBL7430414 0.71 SCN4A (0.39) SCN4AMAOAPTGS1LMNAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034222-A1 2,4 diamino-1,3,5-triazines, processes for their preparation and their use as herbicides and plant growth regulators HOLLANDER JENS (DE) 2004-02-19 US disclosed
EP-1163229-A1 2,4-DIAMINO-1,3,5-TRIAZINES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2001-12-19 EP disclosed
WO-2000056722-A1 2,4-DIAMINO-1,3,5-TRIAZINES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2000-09-28 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 (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-20040034222-A1 2,4 diamino-1,3,5-triazines, processes for their preparation and their use as herbicides and plant growth regulators SUB1, DDT, SAT1 SCN4A 1383/4885MAOA 2089/4885PTGS1 2661/4885

“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.